(1-benzyl-5-propyltriazol-4-yl)methanamine

C13H18N4 — CID 82203130

IUPAC(1-benzyl-5-propyltriazol-4-yl)methanamine
SMILESCCCc1c(CN)nnn1Cc1ccccc1
InChIInChI=1S/C13H18N4/c1-2-6-13-12(9-14)15-16-17(13)10-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,14H2,1H3
InChIKeyGKKJVDCTQJIDOF-UHFFFAOYSA-N
MW230.31 g/mol
LogP1.74
Rot. Bonds5

About (1-benzyl-5-propyltriazol-4-yl)methanamine

(1-benzyl-5-propyltriazol-4-yl)methanamine (PubChem CID 82203130) has the molecular formula C13H18N4 and a molecular weight of 230.31 g/mol. Its IUPAC name is (1-benzyl-5-propyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(1-benzyl-5-propyltriazol-4-yl)methanamine
PubChem CID82203130
Molecular FormulaC13H18N4
Molecular Weight230.31 g/mol
Exact Mass230.15
IUPAC Name(1-benzyl-5-propyltriazol-4-yl)methanamine
SMILESCCCc1c(CN)nnn1Cc1ccccc1
InChIInChI=1S/C13H18N4/c1-2-6-13-12(9-14)15-16-17(13)10-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,14H2,1H3
InChIKeyGKKJVDCTQJIDOF-UHFFFAOYSA-N
XLogP1.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
[5-butyl-1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 82203267
[5-butyl-1-[(4-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 82203355
2-(3-benzyl-5-ethyltriazol-4-yl)ethanol
CID 127052472
(5-benzyl-1-ethyltriazol-4-yl)methanamine
CID 82207476
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
(1-butyl-5-propyltriazol-4-yl)methanamine
CID 82205490
[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
CID 94943128
[1-benzyl-5-(2-chlorophenyl)triazol-4-yl]methanamine
CID 82203156
(5-benzyl-1-prop-2-enyltriazol-4-yl)methanamine
CID 82204740
(1-benzyl-5-pyridin-4-yltriazol-4-yl)methanamine
CID 82203160

Frequently Asked Questions

What is the IUPAC name of (1-benzyl-5-propyltriazol-4-yl)methanamine?
The IUPAC name of (1-benzyl-5-propyltriazol-4-yl)methanamine (CID 82203130) is (1-benzyl-5-propyltriazol-4-yl)methanamine.
What is the SMILES notation for (1-benzyl-5-propyltriazol-4-yl)methanamine?
The canonical SMILES for (1-benzyl-5-propyltriazol-4-yl)methanamine is CCCc1c(CN)nnn1Cc1ccccc1.
What is the InChIKey of (1-benzyl-5-propyltriazol-4-yl)methanamine?
The InChIKey is GKKJVDCTQJIDOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4/c1-2-6-13-12(9-14)15-16-17(13)10-11-7-4-3-5-8-11/h3-5,7-8H,2,6,9-10,14H2,1H3.
What are the key properties of (1-benzyl-5-propyltriazol-4-yl)methanamine?
(1-benzyl-5-propyltriazol-4-yl)methanamine has a molecular weight of 230.31 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-benzyl-5-propyltriazol-4-yl)methanamine is sourced from PubChem (CID 82203130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).