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

C10H18N4 — CID 79790142

IUPAC2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCC(C)(N)c1nnc(C)n1C1CC1
InChIInChI=1S/C10H18N4/c1-4-10(3,11)9-13-12-7(2)14(9)8-5-6-8/h8H,4-6,11H2,1-3H3
InChIKeyDVNLEWMRFLILNE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.51
Rot. Bonds3

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

2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine (PubChem CID 79790142) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine.

Molecular Properties

Compound Name2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine
PubChem CID79790142
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine
SMILESCCC(C)(N)c1nnc(C)n1C1CC1
InChIInChI=1S/C10H18N4/c1-4-10(3,11)9-13-12-7(2)14(9)8-5-6-8/h8H,4-6,11H2,1-3H3
InChIKeyDVNLEWMRFLILNE-UHFFFAOYSA-N
XLogP1.51
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The IUPAC name of 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine (CID 79790142) is 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine.
What is the SMILES notation for 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The canonical SMILES for 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine is CCC(C)(N)c1nnc(C)n1C1CC1.
What is the InChIKey of 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine?
The InChIKey is DVNLEWMRFLILNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-4-10(3,11)9-13-12-7(2)14(9)8-5-6-8/h8H,4-6,11H2,1-3H3.
What are the key properties of 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine?
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine has a molecular weight of 194.28 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)butan-2-amine is sourced from PubChem (CID 79790142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).