4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine

C11H22N4 — CID 62447718

IUPAC4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCn1nc(C)nc1C
InChIInChI=1S/C11H22N4/c1-4-7-12-8-5-6-9-15-11(3)13-10(2)14-15/h12H,4-9H2,1-3H3
InChIKeyKJVYXAYUHPUUCV-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.67
Rot. Bonds7

About 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine

4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine (PubChem CID 62447718) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine
PubChem CID62447718
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine
SMILESCCCNCCCCn1nc(C)nc1C
InChIInChI=1S/C11H22N4/c1-4-7-12-8-5-6-9-15-11(3)13-10(2)14-15/h12H,4-9H2,1-3H3
InChIKeyKJVYXAYUHPUUCV-UHFFFAOYSA-N
XLogP1.67
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.67
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-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]butan-1-amine
CID 62566642
3-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propan-2-ylpropan-1-amine
CID 61387751
2-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-(2-methoxyethyl)ethanamine
CID 62567608
(2S)-N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-ethoxypropanamide
CID 126433222
1,5-bis(3,5-dimethyl-1,2,4-triazol-1-yl)pentan-3-one
CID 174840503
5-indazol-1-yl-N-propylpentan-1-amine
CID 62448825
1-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-3-(4-methylphenyl)urea
CID 72891236
6-methoxy-2-[4-(propylamino)butyl]pyridazin-3-one
CID 105062199
N-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-2-methyl-3-pyrazol-1-ylpropanamide
CID 131902729
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]-4-methylaniline
CID 62566821
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
2-amino-5-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-methylpentan-1-ol
CID 64809255

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine?
The IUPAC name of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine (CID 62447718) is 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine.
What is the SMILES notation for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine?
The canonical SMILES for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine is CCCNCCCCn1nc(C)nc1C.
What is the InChIKey of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine?
The InChIKey is KJVYXAYUHPUUCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-4-7-12-8-5-6-9-15-11(3)13-10(2)14-15/h12H,4-9H2,1-3H3.
What are the key properties of 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine?
4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine has a molecular weight of 210.32 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2,4-triazol-1-yl)-N-propylbutan-1-amine is sourced from PubChem (CID 62447718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).