6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

C22H23F3N4 — CID 164948882

IUPAC6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(C3=CCCCC3)cn2n1
InChIInChI=1S/C22H23F3N4/c1-14(17-9-6-10-19(11-17)22(23,24)25)26-21-20-12-18(16-7-4-3-5-8-16)13-29(20)28-15(2)27-21/h6-7,9-14H,3-5,8H2,1-2H3,(H,26,27,28)/t14-/m1/s1
InChIKeyBUKDVQIHPOCSJE-CQSZACIVSA-N
MW400.45 g/mol
LogP6.19
Rot. Bonds4

About 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine

6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (PubChem CID 164948882) has the molecular formula C22H23F3N4 and a molecular weight of 400.45 g/mol. Its IUPAC name is 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.

Molecular Properties

Compound Name6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
PubChem CID164948882
Molecular FormulaC22H23F3N4
Molecular Weight400.45 g/mol
Exact Mass400.19
IUPAC Name6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
SMILESCc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(C3=CCCCC3)cn2n1
InChIInChI=1S/C22H23F3N4/c1-14(17-9-6-10-19(11-17)22(23,24)25)26-21-20-12-18(16-7-4-3-5-8-16)13-29(20)28-15(2)27-21/h6-7,9-14H,3-5,8H2,1-2H3,(H,26,27,28)/t14-/m1/s1
InChIKeyBUKDVQIHPOCSJE-CQSZACIVSA-N
XLogP6.19
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.45
LogP ≤ 56.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cyclohexen-1-yl)-2-cyclopropyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 164948884
(4-methylpiperazin-1-yl)-[6-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrazin-2-yl]methanone
CID 155686478
N-[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]-6-(cyclohexen-1-yl)-2-methylthieno[2,3-d]pyrimidin-4-amine;(4-methylpiperazin-1-yl)-[6-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrazolo[1,5-a]pyrazin-2-yl]methanone;6-(4-prop-1-en-2-ylpiperazin-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 165074866
1-[[4-[[(1R)-1-[3-amino-5-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]-hydroxymethyl]azetidin-3-ol
CID 162763482
6-(3,6-dihydro-2H-pyran-4-yl)-2,5-dimethyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrano[2,3-d]pyrimidin-7-one
CID 166067074
2-methyl-6-morpholin-4-yl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]pyrido[4,3-d]pyrimidin-7-one
CID 164555136
methyl 2-[5-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]quinazolin-6-yl]-2-oxo-1-pyridinyl]acetate
CID 135176728
6-(4-prop-1-en-2-ylpiperazin-1-yl)-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 165071896
2-methoxy-1-[4-[2-methyl-4-[[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]amino]thieno[3,2-d]pyrimidin-6-yl]-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 155686389
1-propan-2-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]-2H-pyrimidin-4-amine
CID 174925522
tert-butyl 4-[1-methyl-2-oxo-4-[1-[3-(trifluoromethyl)phenyl]ethylamino]quinazolin-6-yl]-3,6-dihydro-2H-pyridine-1-carboxylate
CID 175848492
3-nitro-N-[1-[3-(trifluoromethyl)phenyl]ethyl]imidazo[1,2-a]pyridin-2-amine
CID 42886696

Frequently Asked Questions

What is the IUPAC name of 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The IUPAC name of 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine (CID 164948882) is 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine.
What is the SMILES notation for 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The canonical SMILES for 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is Cc1nc(N[C@H](C)c2cccc(C(F)(F)F)c2)c2cc(C3=CCCCC3)cn2n1.
What is the InChIKey of 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
The InChIKey is BUKDVQIHPOCSJE-CQSZACIVSA-N. The full InChI is InChI=1S/C22H23F3N4/c1-14(17-9-6-10-19(11-17)22(23,24)25)26-21-20-12-18(16-7-4-3-5-8-16)13-29(20)28-15(2)27-21/h6-7,9-14H,3-5,8H2,1-2H3,(H,26,27,28)/t14-/m1/s1.
What are the key properties of 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine?
6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine has a molecular weight of 400.45 g/mol, XLogP of 6.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(cyclohexen-1-yl)-2-methyl-N-[(1R)-1-[3-(trifluoromethyl)phenyl]ethyl]pyrrolo[2,1-f][1,2,4]triazin-4-amine is sourced from PubChem (CID 164948882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).