N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide

C10H11N5O — CID 103722949

IUPACN-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccccn1)c1ncn[nH]1
InChIInChI=1S/C10H11N5O/c1-7(9-12-6-13-15-9)14-10(16)8-4-2-3-5-11-8/h2-7H,1H3,(H,14,16)(H,12,13,15)
InChIKeyUVPBXKBWNHALQP-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.69
Rot. Bonds3

About N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide

N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide (PubChem CID 103722949) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
PubChem CID103722949
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
SMILESCC(NC(=O)c1ccccn1)c1ncn[nH]1
InChIInChI=1S/C10H11N5O/c1-7(9-12-6-13-15-9)14-10(16)8-4-2-3-5-11-8/h2-7H,1H3,(H,14,16)(H,12,13,15)
InChIKeyUVPBXKBWNHALQP-UHFFFAOYSA-N
XLogP0.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]benzamide
CID 106283174
2-amino-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-3-carboxamide
CID 106283558
N-[1-[2,6-bis(2-methylpropyl)phenyl]ethyl]pyridine-2-carboxamide
CID 72711320
5-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106283130
1-methyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyrazole-3-carboxamide
CID 103725904
N-[(1R)-1-(5-phenyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 94798661
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]quinoline-4-carboxamide
CID 103725802
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]naphthalene-2-carboxamide
CID 103716304
5-carbamothioyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106281493
3-phenyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]propanamide
CID 113246893
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]thiophene-3-carboxamide
CID 103716265
2-[(2-fluorophenyl)methyl]-N-[(1R)-1-(1H-1,2,4-triazol-5-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 97319342

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide (CID 103722949) is N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide is CC(NC(=O)c1ccccn1)c1ncn[nH]1.
What is the InChIKey of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide?
The InChIKey is UVPBXKBWNHALQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7(9-12-6-13-15-9)14-10(16)8-4-2-3-5-11-8/h2-7H,1H3,(H,14,16)(H,12,13,15).
What are the key properties of N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide?
N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 103722949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).