1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide

C12H12N8O — CID 106774275

IUPAC1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
SMILESCn1nnc(NC(=O)c2cnc(NN)c3ccccc23)n1
InChIInChI=1S/C12H12N8O/c1-20-18-12(17-19-20)15-11(21)9-6-14-10(16-13)8-5-3-2-4-7(8)9/h2-6H,13H2,1H3,(H,14,16)(H,15,18,21)
InChIKeyDUKQWNPODJHCME-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.30
Rot. Bonds3

About 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide

1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide (PubChem CID 106774275) has the molecular formula C12H12N8O and a molecular weight of 284.28 g/mol. Its IUPAC name is 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
PubChem CID106774275
Molecular FormulaC12H12N8O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC Name1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
SMILESCn1nnc(NC(=O)c2cnc(NN)c3ccccc23)n1
InChIInChI=1S/C12H12N8O/c1-20-18-12(17-19-20)15-11(21)9-6-14-10(16-13)8-5-3-2-4-7(8)9/h2-6H,13H2,1H3,(H,14,16)(H,15,18,21)
InChIKeyDUKQWNPODJHCME-UHFFFAOYSA-N
XLogP0.30
TPSA123.64 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
2-bromo-N-(2-methyltetrazol-5-yl)benzamide
CID 953438
1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide
CID 106774508
1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
CID 106773338
2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
CID 938393
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-4-carboxamide
CID 106773929
1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide
CID 106774391
2,3-difluoro-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105381449
3-fluoro-2-(methylamino)-N-(2-methyltetrazol-5-yl)pyridine-4-carboxamide
CID 105387045
2,4-dihydroxy-N-(2-methyltetrazol-5-yl)benzamide
CID 107723429
1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
CID 106773855
N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
CID 106773595

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide (CID 106774275) is 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide is Cn1nnc(NC(=O)c2cnc(NN)c3ccccc23)n1.
What is the InChIKey of 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide?
The InChIKey is DUKQWNPODJHCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8O/c1-20-18-12(17-19-20)15-11(21)9-6-14-10(16-13)8-5-3-2-4-7(8)9/h2-6H,13H2,1H3,(H,14,16)(H,15,18,21).
What are the key properties of 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide?
1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide has a molecular weight of 284.28 g/mol, XLogP of 0.30, 3 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106774275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).