3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide

C9H10ClN7O — CID 64524391

IUPAC3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)NCc2ncn[nH]2)n1
InChIInChI=1S/C9H10ClN7O/c10-5-1-2-6(16-11)15-8(5)9(18)12-3-7-13-4-14-17-7/h1-2,4H,3,11H2,(H,12,18)(H,15,16)(H,13,14,17)
InChIKeyCMNYHDNLJYGWGZ-UHFFFAOYSA-N
MW267.68 g/mol
LogP0.07
Rot. Bonds4

About 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide

3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 64524391) has the molecular formula C9H10ClN7O and a molecular weight of 267.68 g/mol. Its IUPAC name is 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID64524391
Molecular FormulaC9H10ClN7O
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESNNc1ccc(Cl)c(C(=O)NCc2ncn[nH]2)n1
InChIInChI=1S/C9H10ClN7O/c10-5-1-2-6(16-11)15-8(5)9(18)12-3-7-13-4-14-17-7/h1-2,4H,3,11H2,(H,12,18)(H,15,16)(H,13,14,17)
InChIKeyCMNYHDNLJYGWGZ-UHFFFAOYSA-N
XLogP0.07
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 50.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-chloro-6-hydrazinyl-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64518545
6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 64525579
5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 104642847
3-chloro-6-hydrazinyl-N-[(6-methyl-3-pyridinyl)methyl]pyridine-2-carboxamide
CID 62989223
3-chloro-N-[(3-chlorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 62532452
3-chloro-6-hydrazinyl-N-[(5-methylfuran-2-yl)methyl]pyridine-2-carboxamide
CID 62522719
2,6-dichloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-4-carboxamide
CID 61041672
3-chloro-6-hydrazinyl-N-(2,2,2-trifluoroethyl)pyridine-2-carboxamide
CID 62235822
3-chloro-6-hydrazinyl-N-(3,3,3-trifluoropropyl)pyridine-2-carboxamide
CID 63227438
3-chloro-6-hydrazinyl-N-(2-methylsulfanylethyl)pyridine-2-carboxamide
CID 63963599
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185
2,5-dimethyl-N-(1H-1,2,4-triazol-5-ylmethyl)-1,3-thiazole-4-carboxamide
CID 146121809

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (CID 64524391) is 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is NNc1ccc(Cl)c(C(=O)NCc2ncn[nH]2)n1.
What is the InChIKey of 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is CMNYHDNLJYGWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN7O/c10-5-1-2-6(16-11)15-8(5)9(18)12-3-7-13-4-14-17-7/h1-2,4H,3,11H2,(H,12,18)(H,15,16)(H,13,14,17).
What are the key properties of 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 267.68 g/mol, XLogP of 0.07, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 64524391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).