N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide

C8H15N5O — CID 6416295

IUPACN'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide
SMILESCCC(C)NNC(=O)c1n[nH]nc1C
InChIInChI=1S/C8H15N5O/c1-4-5(2)9-12-8(14)7-6(3)10-13-11-7/h5,9H,4H2,1-3H3,(H,12,14)(H,10,11,13)
InChIKeyZHJLEBDNQJMDET-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.15
Rot. Bonds4

About N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide

N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide (PubChem CID 6416295) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide.

Molecular Properties

Compound NameN'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide
PubChem CID6416295
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide
SMILESCCC(C)NNC(=O)c1n[nH]nc1C
InChIInChI=1S/C8H15N5O/c1-4-5(2)9-12-8(14)7-6(3)10-13-11-7/h5,9H,4H2,1-3H3,(H,12,14)(H,10,11,13)
InChIKeyZHJLEBDNQJMDET-UHFFFAOYSA-N
XLogP0.15
TPSA82.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-amino-2-oxoethyl)-5-methyl-2H-triazole-4-carboxamide
CID 130670032
5-methyl-N-[(1R,2R)-2-methylcyclopropyl]-2H-triazole-4-carboxamide
CID 130736115
2-methylpropyl 5-methyl-2H-triazole-4-carboxylate
CID 103113233
5-methyl-N-prop-2-enyl-2H-triazole-4-carboxamide
CID 110691624
N-(4-ethylphenyl)-5-methyl-2H-triazole-4-carboxamide
CID 110691732
5-methyl-N-(2,4,6-trimethylphenyl)-2H-triazole-4-carboxamide
CID 110691737
N-[3-(dimethylamino)propyl]-5-methyl-2H-triazole-4-carboxamide
CID 110691640
N-[[1-(cyclopropanecarbonyl)piperidin-4-yl]methyl]-5-methyl-2H-triazole-4-carboxamide
CID 118796064
5-(5-methyl-2H-triazol-4-yl)-2H-triazole-4-carboxylic acid
CID 131434213
2-methoxyethyl 5-methyl-2H-triazole-4-carboxylate
CID 103112157
5-methyl-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]-2H-triazole-4-carboxamide
CID 124620606
5-amino-N-(2-methylpropyl)-2H-triazole-4-carboxamide
CID 110484770

Frequently Asked Questions

What is the IUPAC name of N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide?
The IUPAC name of N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide (CID 6416295) is N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide.
What is the SMILES notation for N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide?
The canonical SMILES for N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide is CCC(C)NNC(=O)c1n[nH]nc1C.
What is the InChIKey of N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide?
The InChIKey is ZHJLEBDNQJMDET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-4-5(2)9-12-8(14)7-6(3)10-13-11-7/h5,9H,4H2,1-3H3,(H,12,14)(H,10,11,13).
What are the key properties of N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide?
N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide has a molecular weight of 197.24 g/mol, XLogP of 0.15, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-5-methyl-2H-triazole-4-carbohydrazide is sourced from PubChem (CID 6416295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).