(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine

C12H16N4 — CID 175891290

IUPAC(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
SMILESNC1CCC[C@H](c2nnc3ccccn23)C1
InChIInChI=1S/C12H16N4/c13-10-5-3-4-9(8-10)12-15-14-11-6-1-2-7-16(11)12/h1-2,6-7,9-10H,3-5,8,13H2/t9-,10?/m0/s1
InChIKeyPTZZOJADDAHLAV-RGURZIINSA-N
MW216.29 g/mol
LogP1.71
Rot. Bonds1

About (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine

(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine (PubChem CID 175891290) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
PubChem CID175891290
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
SMILESNC1CCC[C@H](c2nnc3ccccn23)C1
InChIInChI=1S/C12H16N4/c13-10-5-3-4-9(8-10)12-15-14-11-6-1-2-7-16(11)12/h1-2,6-7,9-10H,3-5,8,13H2/t9-,10?/m0/s1
InChIKeyPTZZOJADDAHLAV-RGURZIINSA-N
XLogP1.71
TPSA56.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine
CID 65348038
3-(oxan-3-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138986
3-(thian-4-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 117138801
cis-(1R,3S)-3-[8-(trifluoromethyl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
CID 168894014
cis-(1R,3S)-3-[7-(difluoromethoxy)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]cyclohexan-1-amine
CID 168894166
3-[(1S,3R)-3-aminocyclohexyl]-N,N-dimethyl-[1,2,4]triazolo[4,3-a]pyridine-7-sulfonamide
CID 175891099
4-cyclopropyl-N-[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 168894147
2-[[(1R,3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexyl]amino]-5-(trifluoromethyl)-1H-pyrimidin-6-one
CID 168894168
3-piperidin-2-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 24711632
propyl 3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidine-1-carboxylate
CID 126823598
3-(7-chloro-[1,2,4]triazolo[4,3-b]pyridazin-3-yl)cyclohexan-1-amine
CID 175891118
3-[1-(6-methyl-2-pyridinyl)piperidin-3-yl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86797164

Frequently Asked Questions

What is the IUPAC name of (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine?
The IUPAC name of (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine (CID 175891290) is (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine.
What is the SMILES notation for (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine?
The canonical SMILES for (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine is NC1CCC[C@H](c2nnc3ccccn23)C1.
What is the InChIKey of (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine?
The InChIKey is PTZZOJADDAHLAV-RGURZIINSA-N. The full InChI is InChI=1S/C12H16N4/c13-10-5-3-4-9(8-10)12-15-14-11-6-1-2-7-16(11)12/h1-2,6-7,9-10H,3-5,8,13H2/t9-,10?/m0/s1.
What are the key properties of (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine?
(3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine has a molecular weight of 216.29 g/mol, XLogP of 1.71, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)cyclohexan-1-amine is sourced from PubChem (CID 175891290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).