3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol

C19H26N6O2 — CID 143077791

IUPAC3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol
SMILESCCC(N)C(O)CNCc1ccn2ncnc(Nc3cccc(OC)c3)c12
InChIInChI=1S/C19H26N6O2/c1-3-16(20)17(26)11-21-10-13-7-8-25-18(13)19(22-12-23-25)24-14-5-4-6-15(9-14)27-2/h4-9,12,16-17,21,26H,3,10-11,20H2,1-2H3,(H,22,23,24)
InChIKeyIDDCEENRDQRSPZ-UHFFFAOYSA-N
MW370.46 g/mol
LogP1.67
Rot. Bonds9

About 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol

3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol (PubChem CID 143077791) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol.

Molecular Properties

Compound Name3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol
PubChem CID143077791
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Name3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol
SMILESCCC(N)C(O)CNCc1ccn2ncnc(Nc3cccc(OC)c3)c12
InChIInChI=1S/C19H26N6O2/c1-3-16(20)17(26)11-21-10-13-7-8-25-18(13)19(22-12-23-25)24-14-5-4-6-15(9-14)27-2/h4-9,12,16-17,21,26H,3,10-11,20H2,1-2H3,(H,22,23,24)
InChIKeyIDDCEENRDQRSPZ-UHFFFAOYSA-N
XLogP1.67
TPSA109.73 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

(3S,5R)-4-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidine-3,5-diol
CID 11292048
1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]-N-methylpiperidine-3-carboxamide
CID 71016631
[(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-yl] carbamate
CID 11395795
(3R,4R)-4-amino-1-[hydroxy-[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
CID 174575524
5-[[(3R,4R)-4-azido-3-methoxypiperidin-1-yl]methyl]-N-(3-methoxyphenyl)pyrrolo[2,1-f][1,2,4]triazin-4-amine
CID 58745472
(3S,4R)-4-amino-1-[[4-[3-(difluoromethoxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
CID 68688095
(3R,4S)-4-amino-1-[[4-[3-(difluoromethoxy)anilino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]piperidin-3-ol
CID 66952654
(4R)-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methyl]-4-(phenylmethoxycarbonylamino)piperidine-3-carboxylic acid
CID 143077729
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
(2R)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]propane-1,2-diol
CID 10115560
methyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 22543914
6-N-[(4-chlorophenyl)methyl]-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543926

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol?
The IUPAC name of 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol (CID 143077791) is 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol.
What is the SMILES notation for 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol?
The canonical SMILES for 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol is CCC(N)C(O)CNCc1ccn2ncnc(Nc3cccc(OC)c3)c12.
What is the InChIKey of 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol?
The InChIKey is IDDCEENRDQRSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-3-16(20)17(26)11-21-10-13-7-8-25-18(13)19(22-12-23-25)24-14-5-4-6-15(9-14)27-2/h4-9,12,16-17,21,26H,3,10-11,20H2,1-2H3,(H,22,23,24).
What are the key properties of 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol?
3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol has a molecular weight of 370.46 g/mol, XLogP of 1.67, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[[4-(3-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-5-yl]methylamino]pentan-2-ol is sourced from PubChem (CID 143077791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).