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

C10H20N4 — CID 62722127

IUPAC1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCc1nc(C(N)CCC)n(C)n1
InChIInChI=1S/C10H20N4/c1-4-6-8(11)10-12-9(7-5-2)13-14(10)3/h8H,4-7,11H2,1-3H3
InChIKeyLVVILNWQYDOCHP-UHFFFAOYSA-N
MW196.30 g/mol
LogP1.57
Rot. Bonds5

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

1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine (PubChem CID 62722127) has the molecular formula C10H20N4 and a molecular weight of 196.30 g/mol. Its IUPAC name is 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine
PubChem CID62722127
Molecular FormulaC10H20N4
Molecular Weight196.30 g/mol
Exact Mass196.17
IUPAC Name1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine
SMILESCCCc1nc(C(N)CCC)n(C)n1
InChIInChI=1S/C10H20N4/c1-4-6-8(11)10-12-9(7-5-2)13-14(10)3/h8H,4-7,11H2,1-3H3
InChIKeyLVVILNWQYDOCHP-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine?
The IUPAC name of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine (CID 62722127) is 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine.
What is the SMILES notation for 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine?
The canonical SMILES for 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine is CCCc1nc(C(N)CCC)n(C)n1.
What is the InChIKey of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine?
The InChIKey is LVVILNWQYDOCHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N4/c1-4-6-8(11)10-12-9(7-5-2)13-14(10)3/h8H,4-7,11H2,1-3H3.
What are the key properties of 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine?
1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine has a molecular weight of 196.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)butan-1-amine is sourced from PubChem (CID 62722127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).