4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine

C10H20N4 — CID 96686984

IUPAC4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine
SMILESCc1nc(C(C)C)n(CCCCN)n1
InChIInChI=1S/C10H20N4/c1-8(2)10-12-9(3)13-14(10)7-5-4-6-11/h8H,4-7,11H2,1-3H3
InChIKeyDIIBFJQVSRCBLW-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.45
Rot. Bonds5

About 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine

4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine (PubChem CID 96686984) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine.

Molecular Properties

Compound Name4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine
PubChem CID96686984
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine
SMILESCc1nc(C(C)C)n(CCCCN)n1
InChIInChI=1S/C10H20N4/c1-8(2)10-12-9(3)13-14(10)7-5-4-6-11/h8H,4-7,11H2,1-3H3
InChIKeyDIIBFJQVSRCBLW-UHFFFAOYSA-N
XLogP1.45
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.30
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)ethyl]-N-propylpropan-1-amine
CID 174295555
1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane
CID 145338154
5-propan-2-yl-N-[5-propan-2-yl-1-(8-trimethoxysilyloctyl)-1,2,4-triazol-3-yl]-1-(8-trimethoxysilyloctyl)-1,2,4-triazol-3-amine
CID 169210057
4-(6-methyl-2-propan-2-ylimidazo[4,5-b]pyridin-3-yl)butan-1-amine
CID 82061622
5-(2,5-dimethyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62694934
3-(3-propan-2-yl-1,2,4-triazol-4-yl)propan-1-amine
CID 82512111
4-(4-propan-2-ylimidazol-1-yl)butan-1-amine
CID 96686959
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 61387751
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpropan-1-amine
CID 61345503
6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine
CID 65284962
4-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 139944590
(2S)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethoxypropanamide
CID 126433222

Frequently Asked Questions

What is the IUPAC name of 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine?
The IUPAC name of 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine (CID 96686984) is 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine.
What is the SMILES notation for 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine?
The canonical SMILES for 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine is Cc1nc(C(C)C)n(CCCCN)n1.
What is the InChIKey of 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine?
The InChIKey is DIIBFJQVSRCBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-8(2)10-12-9(3)13-14(10)7-5-4-6-11/h8H,4-7,11H2,1-3H3.
What are the key properties of 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine?
4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine is sourced from PubChem (CID 96686984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).