[2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine

C14H19N7 — CID 105230658

IUPAC[2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
SMILESCCCn1c(CC(NN)c2ncn[nH]2)nc2ccccc21
InChIInChI=1S/C14H19N7/c1-2-7-21-12-6-4-3-5-10(12)18-13(21)8-11(19-15)14-16-9-17-20-14/h3-6,9,11,19H,2,7-8,15H2,1H3,(H,16,17,20)
InChIKeyJMDZZTPPZRSNIK-UHFFFAOYSA-N
MW285.35 g/mol
LogP1.31
Rot. Bonds6

About [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine

[2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine (PubChem CID 105230658) has the molecular formula C14H19N7 and a molecular weight of 285.35 g/mol. Its IUPAC name is [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine.

Molecular Properties

Compound Name[2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
PubChem CID105230658
Molecular FormulaC14H19N7
Molecular Weight285.35 g/mol
Exact Mass285.17
IUPAC Name[2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
SMILESCCCn1c(CC(NN)c2ncn[nH]2)nc2ccccc21
InChIInChI=1S/C14H19N7/c1-2-7-21-12-6-4-3-5-10(12)18-13(21)8-11(19-15)14-16-9-17-20-14/h3-6,9,11,19H,2,7-8,15H2,1H3,(H,16,17,20)
InChIKeyJMDZZTPPZRSNIK-UHFFFAOYSA-N
XLogP1.31
TPSA97.44 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 51.31
H-Bond Donors ≤ 53
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

2-(1-ethylbenzimidazol-2-yl)-N-methyl-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 79750862
[1-(furan-2-yl)-2-(1-propylbenzimidazol-2-yl)ethyl]hydrazine
CID 105213713
[1,1,1-trifluoro-3-(1-propylbenzimidazol-2-yl)propan-2-yl]hydrazine
CID 105215870
N-[(1-propylbenzimidazol-2-yl)methyl]-1-(1H-1,2,4-triazol-5-yl)methanamine
CID 61019366
4-[2-(1-ethylbenzimidazol-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231084
[3-methoxy-1-(1-propylbenzimidazol-2-yl)pentan-2-yl]hydrazine
CID 105270881
2-(1-propylbenzimidazol-2-yl)-1-pyrimidin-2-ylethanamine
CID 79756292
3,3-dimethyl-1-(1-propylbenzimidazol-2-yl)butan-2-amine
CID 79754185
1-propyl-2-[(1-propylbenzimidazol-2-yl)methyl]benzimidazole
CID 102471082
N,3,3-trimethyl-1-(1-propylbenzimidazol-2-yl)pentan-2-amine
CID 105007167
1-cyclopropyl-2-(1-propylbenzimidazol-2-yl)ethanamine
CID 79754023
[2-(1-ethylbenzimidazol-2-yl)-1-thiophen-2-ylethyl]hydrazine
CID 105193559

Frequently Asked Questions

What is the IUPAC name of [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
The IUPAC name of [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine (CID 105230658) is [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine.
What is the SMILES notation for [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
The canonical SMILES for [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine is CCCn1c(CC(NN)c2ncn[nH]2)nc2ccccc21.
What is the InChIKey of [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
The InChIKey is JMDZZTPPZRSNIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7/c1-2-7-21-12-6-4-3-5-10(12)18-13(21)8-11(19-15)14-16-9-17-20-14/h3-6,9,11,19H,2,7-8,15H2,1H3,(H,16,17,20).
What are the key properties of [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine?
[2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine has a molecular weight of 285.35 g/mol, XLogP of 1.31, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-propylbenzimidazol-2-yl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine is sourced from PubChem (CID 105230658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).