(6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

C16H19N7 — CID 95323257

IUPAC(6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCn1cc(CN[C@H]2CCc3ncnn3C2)c(-c2ccncc2)n1
InChIInChI=1S/C16H19N7/c1-22-9-13(16(21-22)12-4-6-17-7-5-12)8-18-14-2-3-15-19-11-20-23(15)10-14/h4-7,9,11,14,18H,2-3,8,10H2,1H3/t14-/m0/s1
InChIKeyNVEJQTBZFDSGHD-AWEZNQCLSA-N
MW309.38 g/mol
LogP1.18
Rot. Bonds4

About (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine

(6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95323257) has the molecular formula C16H19N7 and a molecular weight of 309.38 g/mol. Its IUPAC name is (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95323257
Molecular FormulaC16H19N7
Molecular Weight309.38 g/mol
Exact Mass309.17
IUPAC Name(6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCn1cc(CN[C@H]2CCc3ncnn3C2)c(-c2ccncc2)n1
InChIInChI=1S/C16H19N7/c1-22-9-13(16(21-22)12-4-6-17-7-5-12)8-18-14-2-3-15-19-11-20-23(15)10-14/h4-7,9,11,14,18H,2-3,8,10H2,1H3/t14-/m0/s1
InChIKeyNVEJQTBZFDSGHD-AWEZNQCLSA-N
XLogP1.18
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.38
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine with MolForge

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Related Compounds

(6S)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95295052
(6S)-N-(pyridin-4-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291259
(6S)-N-[[3-(1-benzofuran-2-yl)-1-methylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291269
N-[[3-(4-ethylphenyl)-1-phenylpyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119127493
N-(2-methylpropyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 130678390
(6R)-N-[[5-(4-methylphenyl)-1H-pyrazol-4-yl]methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95314631
(6R)-N-[(4-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291237
N-(1,3-thiazol-5-ylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 115732375
N-[(5-phenylfuran-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 119124106
(6R)-N-[(1-phenyltriazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95313962
N-(cyclopropylmethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 131002726
(6R)-N-[(3-phenylphenyl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95291895

Frequently Asked Questions

What is the IUPAC name of (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95323257) is (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is Cn1cc(CN[C@H]2CCc3ncnn3C2)c(-c2ccncc2)n1.
What is the InChIKey of (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is NVEJQTBZFDSGHD-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H19N7/c1-22-9-13(16(21-22)12-4-6-17-7-5-12)8-18-14-2-3-15-19-11-20-23(15)10-14/h4-7,9,11,14,18H,2-3,8,10H2,1H3/t14-/m0/s1.
What are the key properties of (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 309.38 g/mol, XLogP of 1.18, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95323257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).