[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine

C7H15N5 — CID 105230310

IUPAC[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
SMILESCC(C)CC(NN)c1ncn[nH]1
InChIInChI=1S/C7H15N5/c1-5(2)3-6(11-8)7-9-4-10-12-7/h4-6,11H,3,8H2,1-2H3,(H,9,10,12)
InChIKeyOOJGGXYTELDSSE-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.36
Rot. Bonds4

About [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine

[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine (PubChem CID 105230310) has the molecular formula C7H15N5 and a molecular weight of 169.23 g/mol. Its IUPAC name is [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine.

Molecular Properties

Compound Name[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
PubChem CID105230310
Molecular FormulaC7H15N5
Molecular Weight169.23 g/mol
Exact Mass169.13
IUPAC Name[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine
SMILESCC(C)CC(NN)c1ncn[nH]1
InChIInChI=1S/C7H15N5/c1-5(2)3-6(11-8)7-9-4-10-12-7/h4-6,11H,3,8H2,1-2H3,(H,9,10,12)
InChIKeyOOJGGXYTELDSSE-UHFFFAOYSA-N
XLogP0.36
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

[3-ethyl-1-(1H-1,2,4-triazol-5-yl)pentyl]hydrazine
CID 105230629
[2-methyl-1-(1H-1,2,4-triazol-5-yl)propyl]hydrazine
CID 105230450
1-(1H-1,2,4-triazol-5-yl)but-3-enylhydrazine
CID 105230523
2,2-dimethyl-N-[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]propanamide
CID 168788084
N,4-dimethyl-1-(1H-1,2,4-triazol-5-yl)pentan-1-amine
CID 65362730
5-propan-2-yl-1H-1,2,4-triazole
CID 165097993
3-[2-hydrazinyl-2-(1H-1,2,4-triazol-5-yl)ethyl]pyridin-4-amine
CID 105230663
methane;5-propan-2-yl-1H-1,2,4-triazole
CID 158048677
[2-(5-bromo-2-pyridinyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230433
N-methyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360719
(1S)-N,2-dimethyl-1-(1H-1,2,4-triazol-5-yl)propan-1-amine
CID 89012683
[2-(2-bromo-5-methoxyphenyl)-1-(1H-1,2,4-triazol-5-yl)ethyl]hydrazine
CID 105230474

Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine?
The IUPAC name of [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine (CID 105230310) is [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine.
What is the SMILES notation for [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine?
The canonical SMILES for [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine is CC(C)CC(NN)c1ncn[nH]1.
What is the InChIKey of [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine?
The InChIKey is OOJGGXYTELDSSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15N5/c1-5(2)3-6(11-8)7-9-4-10-12-7/h4-6,11H,3,8H2,1-2H3,(H,9,10,12).
What are the key properties of [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine?
[3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine has a molecular weight of 169.23 g/mol, XLogP of 0.36, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-(1H-1,2,4-triazol-5-yl)butyl]hydrazine is sourced from PubChem (CID 105230310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).