[(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine

C13H15N7 — CID 105308192

IUPAC[(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine
SMILESCn1ccnc1C(NN)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H15N7/c1-19-8-7-15-13(19)12(17-14)11-9-16-20(18-11)10-5-3-2-4-6-10/h2-9,12,17H,14H2,1H3
InChIKeyQKHYXAJQSHLDNQ-UHFFFAOYSA-N
MW269.31 g/mol
LogP0.55
Rot. Bonds4

About [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine

[(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine (PubChem CID 105308192) has the molecular formula C13H15N7 and a molecular weight of 269.31 g/mol. Its IUPAC name is [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine.

Molecular Properties

Compound Name[(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine
PubChem CID105308192
Molecular FormulaC13H15N7
Molecular Weight269.31 g/mol
Exact Mass269.14
IUPAC Name[(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine
SMILESCn1ccnc1C(NN)c1cnn(-c2ccccc2)n1
InChIInChI=1S/C13H15N7/c1-19-8-7-15-13(19)12(17-14)11-9-16-20(18-11)10-5-3-2-4-6-10/h2-9,12,17H,14H2,1H3
InChIKeyQKHYXAJQSHLDNQ-UHFFFAOYSA-N
XLogP0.55
TPSA86.58 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[(2-phenyltriazol-4-yl)-pyrimidin-5-ylmethyl]hydrazine
CID 105292082
bis(1-methylimidazol-2-yl)methylhydrazine
CID 105258117
[(1-methylimidazol-2-yl)-pyrimidin-2-ylmethyl]hydrazine
CID 105203671
N-methyl-1-(2-methylpyrazol-3-yl)-1-(2-phenyltriazol-4-yl)methanamine
CID 105148730
(1-ethylimidazol-2-yl)-(2-phenyltriazol-4-yl)methanol
CID 105099050
[(1-methylimidazol-2-yl)-pyridazin-4-ylmethyl]hydrazine
CID 105308269
N-methyl-1-(1-methylimidazol-2-yl)-1-(2-phenylpyrazol-3-yl)methanamine
CID 107330821
[2-(2-methyltetrazol-5-yl)-1-(2-phenyltriazol-4-yl)ethyl]hydrazine
CID 107066810
[(1-methylimidazol-2-yl)-(5-methylpyrimidin-2-yl)methyl]hydrazine
CID 105261529
N-[(1-methylimidazol-2-yl)-phenylmethyl]aniline
CID 12062920
[(1,5-dimethylpyrazol-4-yl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105308264
N-[(2-phenyltriazol-4-yl)-pyrazin-2-ylmethyl]ethanamine
CID 105149998

Frequently Asked Questions

What is the IUPAC name of [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine?
The IUPAC name of [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine (CID 105308192) is [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine.
What is the SMILES notation for [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine?
The canonical SMILES for [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine is Cn1ccnc1C(NN)c1cnn(-c2ccccc2)n1.
What is the InChIKey of [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine?
The InChIKey is QKHYXAJQSHLDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7/c1-19-8-7-15-13(19)12(17-14)11-9-16-20(18-11)10-5-3-2-4-6-10/h2-9,12,17H,14H2,1H3.
What are the key properties of [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine?
[(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine has a molecular weight of 269.31 g/mol, XLogP of 0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(1-methylimidazol-2-yl)-(2-phenyltriazol-4-yl)methyl]hydrazine is sourced from PubChem (CID 105308192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).