2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine

C17H22F3N7 — CID 123885457

IUPAC2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NC(C)C2CC2)nc(-n2ccc(C(F)(F)F)n2)n1)C1CC1
InChIInChI=1S/C17H22F3N7/c1-9(11-3-4-11)21-14-23-15(22-10(2)12-5-6-12)25-16(24-14)27-8-7-13(26-27)17(18,19)20/h7-12H,3-6H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyZFCNVKABVPLJJM-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.50
Rot. Bonds7

About 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 123885457) has the molecular formula C17H22F3N7 and a molecular weight of 381.41 g/mol. Its IUPAC name is 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
PubChem CID123885457
Molecular FormulaC17H22F3N7
Molecular Weight381.41 g/mol
Exact Mass381.19
IUPAC Name2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(Nc1nc(NC(C)C2CC2)nc(-n2ccc(C(F)(F)F)n2)n1)C1CC1
InChIInChI=1S/C17H22F3N7/c1-9(11-3-4-11)21-14-23-15(22-10(2)12-5-6-12)25-16(24-14)27-8-7-13(26-27)17(18,19)20/h7-12H,3-6H2,1-2H3,(H2,21,22,23,24,25)
InChIKeyZFCNVKABVPLJJM-UHFFFAOYSA-N
XLogP3.50
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(1R)-1-cyclopropylethyl]-4-(3-cyclopropylidenebutyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
CID 146258737
4-hydrazinyl-N,N-dimethyl-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazin-2-amine
CID 80901888
1-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 123967056
N-(1-cyclopentylethyl)-4-hydrazinyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 80906636
4-N-(2-adamantyl)-2-N-(1-cyclopropylethyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 123185503
2-N-(1-cyclopropylethyl)-6-(4-methylpyrazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 155016973
1-cyclopropyl-N-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanamine
CID 63912882
N-methyl-4-(trifluoromethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-2-amine
CID 114566081
6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluorobutan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis[(2R)-1,1,1-trifluorobutan-2-yl]-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine;6-(6-chloro-2-pyridinyl)-4-N-[(2S)-1,1,1-trifluoropropan-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine;6-(2-methyl-1,3-thiazol-4-yl)-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine;6-[3-(trifluoromethyl)pyrazol-1-yl]-2-N,4-N-bis(1,1,1-trifluoropropan-2-yl)-1,3,5-triazine-2,4-diamine
CID 159325353
7-methoxy-4,8-dimethyl-2-[3-(trifluoromethyl)pyrazol-1-yl]quinazoline
CID 143844735
methyl 3-[[4-(1-cyclopropylethylamino)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazin-2-yl]amino]propanoate
CID 122440968
(1S)-1-[4-[3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanol
CID 63372117

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine (CID 123885457) is 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine is CC(Nc1nc(NC(C)C2CC2)nc(-n2ccc(C(F)(F)F)n2)n1)C1CC1.
What is the InChIKey of 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZFCNVKABVPLJJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N7/c1-9(11-3-4-11)21-14-23-15(22-10(2)12-5-6-12)25-16(24-14)27-8-7-13(26-27)17(18,19)20/h7-12H,3-6H2,1-2H3,(H2,21,22,23,24,25).
What are the key properties of 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 381.41 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(1-cyclopropylethyl)-6-[3-(trifluoromethyl)pyrazol-1-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 123885457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).