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

C16H20N8 — CID 95340139

IUPAC(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@@H](NCc1nnnn1-c1ccccc1)CC2
InChIInChI=1S/C16H20N8/c1-2-14-18-15-9-8-12(11-23(15)20-14)17-10-16-19-21-22-24(16)13-6-4-3-5-7-13/h3-7,12,17H,2,8-11H2,1H3/t12-/m0/s1
InChIKeyADHKFFOFGOHVAI-LBPRGKRZSA-N
MW324.39 g/mol
LogP0.92
Rot. Bonds5

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

(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 95340139) has the molecular formula C16H20N8 and a molecular weight of 324.39 g/mol. Its IUPAC name is (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound Name(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID95340139
Molecular FormulaC16H20N8
Molecular Weight324.39 g/mol
Exact Mass324.18
IUPAC Name(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCCc1nc2n(n1)C[C@@H](NCc1nnnn1-c1ccccc1)CC2
InChIInChI=1S/C16H20N8/c1-2-14-18-15-9-8-12(11-23(15)20-14)17-10-16-19-21-22-24(16)13-6-4-3-5-7-13/h3-7,12,17H,2,8-11H2,1H3/t12-/m0/s1
InChIKeyADHKFFOFGOHVAI-LBPRGKRZSA-N
XLogP0.92
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(6S)-N-[(1-cyclopropyltetrazol-5-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95305594
N-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]methyl]-2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56781309
4-methyl-N-[(1-phenyltetrazol-5-yl)methyl]cyclohexan-1-amine
CID 60672744
N-[(1-phenyltetrazol-5-yl)methyl]cyclooctanamine
CID 60673062
2-ethyl-N-[(2-phenylpyrimidin-4-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 56780949
(6R)-N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95607457
(1S)-2-[[(6S)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]-1-phenylethanol
CID 95607448
(6R)-N-(1,3-benzothiazol-2-ylmethyl)-2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95323884
N-[(1-phenyltetrazol-5-yl)methyl]thian-4-amine
CID 115595882
(6S)-2-ethyl-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
CID 95337424
N-[[1-(4-ethylphenyl)tetrazol-5-yl]methyl]cyclopropanamine
CID 55109524
4-[[(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)amino]methyl]benzonitrile
CID 119124034

Frequently Asked Questions

What is the IUPAC name of (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 95340139) is (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CCc1nc2n(n1)C[C@@H](NCc1nnnn1-c1ccccc1)CC2.
What is the InChIKey of (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is ADHKFFOFGOHVAI-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20N8/c1-2-14-18-15-9-8-12(11-23(15)20-14)17-10-16-19-21-22-24(16)13-6-4-3-5-7-13/h3-7,12,17H,2,8-11H2,1H3/t12-/m0/s1.
What are the key properties of (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
(6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 324.39 g/mol, XLogP of 0.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-ethyl-N-[(1-phenyltetrazol-5-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 95340139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).