1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide

C12H16N6O — CID 81407262

IUPAC1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(CCN)nn1)c1ccccn1
InChIInChI=1S/C12H16N6O/c1-9(10-4-2-3-6-14-10)15-12(19)11-8-18(7-5-13)17-16-11/h2-4,6,8-9H,5,7,13H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeyVTIITJWKVVPQMC-VIFPVBQESA-N
MW260.30 g/mol
LogP0.12
Rot. Bonds5

About 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide

1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide (PubChem CID 81407262) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
PubChem CID81407262
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC Name1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide
SMILESC[C@H](NC(=O)c1cn(CCN)nn1)c1ccccn1
InChIInChI=1S/C12H16N6O/c1-9(10-4-2-3-6-14-10)15-12(19)11-8-18(7-5-13)17-16-11/h2-4,6,8-9H,5,7,13H2,1H3,(H,15,19)/t9-/m0/s1
InChIKeyVTIITJWKVVPQMC-VIFPVBQESA-N
XLogP0.12
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-aminoethyl)-N-[(1S)-1-(3-methylphenyl)ethyl]triazole-4-carboxamide
CID 81360225
1-(2-aminoethyl)-N-but-3-yn-2-yltriazole-4-carboxamide
CID 114417029
2-(2-aminoethyl)-N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 66389625
6-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridazine-3-carboxamide
CID 62241752
5-amino-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 81315746
(2S)-2-[[1-(pyridin-2-ylmethyl)triazole-4-carbonyl]amino]propanoic acid
CID 119943054
1-(2-aminoethyl)-N-[1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]triazole-4-carboxamide
CID 56879862
N-(1-amino-4-methylpentan-2-yl)-1-(3-methylbutyl)triazole-4-carboxamide
CID 119585740
N-(1-amino-4-methylpentan-2-yl)-1-benzyltriazole-4-carboxamide;hydrochloride
CID 119587268
N-(1-pyridin-2-ylethyl)-1,3-thiazole-4-carboxamide
CID 63037034
4-hydrazinyl-N-(1-pyridin-2-ylethyl)pyridine-2-carboxamide
CID 62241386
N-[(1R)-1-pyridin-2-ylethyl]propanamide
CID 59509331

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide (CID 81407262) is 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide is C[C@H](NC(=O)c1cn(CCN)nn1)c1ccccn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide?
The InChIKey is VTIITJWKVVPQMC-VIFPVBQESA-N. The full InChI is InChI=1S/C12H16N6O/c1-9(10-4-2-3-6-14-10)15-12(19)11-8-18(7-5-13)17-16-11/h2-4,6,8-9H,5,7,13H2,1H3,(H,15,19)/t9-/m0/s1.
What are the key properties of 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide?
1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[(1S)-1-pyridin-2-ylethyl]triazole-4-carboxamide is sourced from PubChem (CID 81407262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).