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

C12H16N4 — CID 82207476

IUPAC(5-benzyl-1-ethyltriazol-4-yl)methanamine
SMILESCCn1nnc(CN)c1Cc1ccccc1
InChIInChI=1S/C12H16N4/c1-2-16-12(11(9-13)14-15-16)8-10-6-4-3-5-7-10/h3-7H,2,8-9,13H2,1H3
InChIKeyIMTIMYLTRCNRSH-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.35
Rot. Bonds4

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

(5-benzyl-1-ethyltriazol-4-yl)methanamine (PubChem CID 82207476) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is (5-benzyl-1-ethyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-benzyl-1-ethyltriazol-4-yl)methanamine
PubChem CID82207476
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name(5-benzyl-1-ethyltriazol-4-yl)methanamine
SMILESCCn1nnc(CN)c1Cc1ccccc1
InChIInChI=1S/C12H16N4/c1-2-16-12(11(9-13)14-15-16)8-10-6-4-3-5-7-10/h3-7H,2,8-9,13H2,1H3
InChIKeyIMTIMYLTRCNRSH-UHFFFAOYSA-N
XLogP1.35
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1,5-dibenzyltriazol-4-yl)methanamine
CID 82203152
(5-benzyl-1-prop-2-enyltriazol-4-yl)methanamine
CID 82204740
[5-benzyl-1-[(3-chlorophenyl)methyl]triazol-4-yl]methanamine
CID 94943407
(1-benzyl-5-propyltriazol-4-yl)methanamine
CID 82203130
5-benzyl-1-ethyltriazole-4-carboxylic acid
CID 82207159
[5-benzyl-1-(2-methylphenyl)triazol-4-yl]methanamine
CID 82198294
[5-ethyl-1-(3-phenylpropyl)triazol-4-yl]methanamine
CID 82208944
[1-ethyl-5-[2-(4-methylphenyl)ethyl]triazol-4-yl]methanamine
CID 82207508
[5-benzyl-1-(2-ethoxyphenyl)triazol-4-yl]methanamine
CID 94937910
[1-benzyl-5-(1H-indol-3-ylmethyl)triazol-4-yl]methanamine
CID 94943128
4-[4-(aminomethyl)-5-benzyltriazol-1-yl]-N,N-dimethylaniline
CID 94939643
(5-benzyl-1-butyltriazol-4-yl)methanol
CID 82205364

Frequently Asked Questions

What is the IUPAC name of (5-benzyl-1-ethyltriazol-4-yl)methanamine?
The IUPAC name of (5-benzyl-1-ethyltriazol-4-yl)methanamine (CID 82207476) is (5-benzyl-1-ethyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-benzyl-1-ethyltriazol-4-yl)methanamine?
The canonical SMILES for (5-benzyl-1-ethyltriazol-4-yl)methanamine is CCn1nnc(CN)c1Cc1ccccc1.
What is the InChIKey of (5-benzyl-1-ethyltriazol-4-yl)methanamine?
The InChIKey is IMTIMYLTRCNRSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-2-16-12(11(9-13)14-15-16)8-10-6-4-3-5-7-10/h3-7H,2,8-9,13H2,1H3.
What are the key properties of (5-benzyl-1-ethyltriazol-4-yl)methanamine?
(5-benzyl-1-ethyltriazol-4-yl)methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-benzyl-1-ethyltriazol-4-yl)methanamine is sourced from PubChem (CID 82207476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).