[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine

C13H16N4 — CID 82473927

IUPAC[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESCn1nc(-c2ccc(CN)cc2)nc1C1CC1
InChIInChI=1S/C13H16N4/c1-17-13(11-6-7-11)15-12(16-17)10-4-2-9(8-14)3-5-10/h2-5,11H,6-8,14H2,1H3
InChIKeyLPIIHEVKVVTIEG-UHFFFAOYSA-N
MW228.30 g/mol
LogP1.82
Rot. Bonds3

About [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine

[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine (PubChem CID 82473927) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine.

Molecular Properties

Compound Name[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
PubChem CID82473927
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine
SMILESCn1nc(-c2ccc(CN)cc2)nc1C1CC1
InChIInChI=1S/C13H16N4/c1-17-13(11-6-7-11)15-12(16-17)10-4-2-9(8-14)3-5-10/h2-5,11H,6-8,14H2,1H3
InChIKeyLPIIHEVKVVTIEG-UHFFFAOYSA-N
XLogP1.82
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine?
The IUPAC name of [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine (CID 82473927) is [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine.
What is the SMILES notation for [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine?
The canonical SMILES for [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine is Cn1nc(-c2ccc(CN)cc2)nc1C1CC1.
What is the InChIKey of [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine?
The InChIKey is LPIIHEVKVVTIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-17-13(11-6-7-11)15-12(16-17)10-4-2-9(8-14)3-5-10/h2-5,11H,6-8,14H2,1H3.
What are the key properties of [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine?
[4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine has a molecular weight of 228.30 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-cyclopropyl-1-methyl-1,2,4-triazol-3-yl)phenyl]methanamine is sourced from PubChem (CID 82473927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).