1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

C19H24N6 — CID 95329776

IUPAC1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCc1nnc2n1C[C@H](CNCc1cn[nH]c1-c1ccccc1)CC2
InChIInChI=1S/C19H24N6/c1-2-17-22-23-18-9-8-14(13-25(17)18)10-20-11-16-12-21-24-19(16)15-6-4-3-5-7-15/h3-7,12,14,20H,2,8-11,13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyCDBXUGQRDIXOLN-AWEZNQCLSA-N
MW336.44 g/mol
LogP2.58
Rot. Bonds6

About 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine

1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (PubChem CID 95329776) has the molecular formula C19H24N6 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
PubChem CID95329776
Molecular FormulaC19H24N6
Molecular Weight336.44 g/mol
Exact Mass336.21
IUPAC Name1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
SMILESCCc1nnc2n1C[C@H](CNCc1cn[nH]c1-c1ccccc1)CC2
InChIInChI=1S/C19H24N6/c1-2-17-22-23-18-9-8-14(13-25(17)18)10-20-11-16-12-21-24-19(16)15-6-4-3-5-7-15/h3-7,12,14,20H,2,8-11,13H2,1H3,(H,21,24)/t14-/m0/s1
InChIKeyCDBXUGQRDIXOLN-AWEZNQCLSA-N
XLogP2.58
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-[(3R)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methanamine
CID 94140110
2-(benzenesulfonyl)-N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]ethanamine
CID 95311250
(2S)-1-[4-[[(5-phenyl-1H-pyrazol-4-yl)methylamino]methyl]piperidin-1-yl]propan-2-ol
CID 95274104
1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]methanamine
CID 95333628
2-(4-methylpiperidin-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]ethanamine
CID 119126724
1-[(3S)-1-ethylpyrrolidin-3-yl]-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]methanamine
CID 94194229
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methanamine
CID 95302274
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
1-methyl-5-[(5-phenyl-1H-pyrazol-4-yl)methylamino]piperidin-2-one
CID 64655726
4-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]cyclohexan-1-amine
CID 47114367
N-[[(6R)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764258
N-[[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]methyl]quinazolin-4-amine
CID 95764257

Frequently Asked Questions

What is the IUPAC name of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The IUPAC name of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine (CID 95329776) is 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine.
What is the SMILES notation for 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The canonical SMILES for 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is CCc1nnc2n1C[C@H](CNCc1cn[nH]c1-c1ccccc1)CC2.
What is the InChIKey of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
The InChIKey is CDBXUGQRDIXOLN-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6/c1-2-17-22-23-18-9-8-14(13-25(17)18)10-20-11-16-12-21-24-19(16)15-6-4-3-5-7-15/h3-7,12,14,20H,2,8-11,13H2,1H3,(H,21,24)/t14-/m0/s1.
What are the key properties of 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine?
1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine has a molecular weight of 336.44 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6S)-3-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine is sourced from PubChem (CID 95329776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).