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

C9H11N7O — CID 104642847

IUPAC5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESNNc1ccc(C(=O)NCc2ncn[nH]2)nc1
InChIInChI=1S/C9H11N7O/c10-15-6-1-2-7(11-3-6)9(17)12-4-8-13-5-14-16-8/h1-3,5,15H,4,10H2,(H,12,17)(H,13,14,16)
InChIKeyBOGRQEQTJDURCK-UHFFFAOYSA-N
MW233.24 g/mol
LogP-0.58
Rot. Bonds4

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

5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (PubChem CID 104642847) has the molecular formula C9H11N7O and a molecular weight of 233.24 g/mol. Its IUPAC name is 5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
PubChem CID104642847
Molecular FormulaC9H11N7O
Molecular Weight233.24 g/mol
Exact Mass233.10
IUPAC Name5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
SMILESNNc1ccc(C(=O)NCc2ncn[nH]2)nc1
InChIInChI=1S/C9H11N7O/c10-15-6-1-2-7(11-3-6)9(17)12-4-8-13-5-14-16-8/h1-3,5,15H,4,10H2,(H,12,17)(H,13,14,16)
InChIKeyBOGRQEQTJDURCK-UHFFFAOYSA-N
XLogP-0.58
TPSA121.61 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.24
LogP ≤ 5-0.58
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

5-hydrazinyl-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 106283130
5-(methylamino)-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]pyridine-2-carboxamide
CID 104641538
5-hydrazinyl-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 104642246
6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 64525579
5-hydrazinyl-2-nitro-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64525183
N-(1H-1,2,4-triazol-5-ylmethyl)pyrazine-2-carboxamide
CID 60981874
3-chloro-6-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide
CID 64524391
5-hydrazinyl-N-propylpyridine-2-carboxamide
CID 104642261
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185
3-amino-N-(1H-1,2,4-triazol-5-ylmethyl)-1H-pyrazole-5-carboxamide
CID 64525878
N-(cyclopropylmethyl)-5-hydrazinylpyridine-2-carboxamide
CID 104642346
4-carbamothioyl-N-(1H-1,2,4-triazol-5-ylmethyl)benzamide
CID 64530382

Frequently Asked Questions

What is the IUPAC name of 5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide (CID 104642847) is 5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is NNc1ccc(C(=O)NCc2ncn[nH]2)nc1.
What is the InChIKey of 5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
The InChIKey is BOGRQEQTJDURCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N7O/c10-15-6-1-2-7(11-3-6)9(17)12-4-8-13-5-14-16-8/h1-3,5,15H,4,10H2,(H,12,17)(H,13,14,16).
What are the key properties of 5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide?
5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide has a molecular weight of 233.24 g/mol, XLogP of -0.58, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydrazinyl-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104642847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).