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

C11H14N4 — CID 114286946

IUPAC[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
SMILESCn1ncnc1Cc1ccccc1CN
InChIInChI=1S/C11H14N4/c1-15-11(13-8-14-15)6-9-4-2-3-5-10(9)7-12/h2-5,8H,6-7,12H2,1H3
InChIKeyAWKSVFMMWAOWPF-UHFFFAOYSA-N
MW202.26 g/mol
LogP0.86
Rot. Bonds3

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

[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine (PubChem CID 114286946) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine.

Molecular Properties

Compound Name[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
PubChem CID114286946
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
SMILESCn1ncnc1Cc1ccccc1CN
InChIInChI=1S/C11H14N4/c1-15-11(13-8-14-15)6-9-4-2-3-5-10(9)7-12/h2-5,8H,6-7,12H2,1H3
InChIKeyAWKSVFMMWAOWPF-UHFFFAOYSA-N
XLogP0.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenol
CID 115017760
[2-[(4-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine
CID 81317863
ethane;5-ethyl-1-methyl-1,2,4-triazole
CID 164877506
2-[[2-(aminomethyl)phenyl]methyl]phenol
CID 174458594
2-[3-chloro-2-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 112614987
[1-(2-methyl-1,2,4-triazol-3-yl)-3-naphthalen-1-ylpropan-2-yl]hydrazine
CID 105316461
[1-(2-methoxyphenyl)-3-(2-methyl-1,2,4-triazol-3-yl)propan-2-yl]hydrazine
CID 105204984
2-chloro-5-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridine
CID 178122835
[1-[(2-methyl-1,2,4-triazol-3-yl)methyl]imidazol-4-yl]methanamine
CID 106718122
2-fluoro-3-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 112562610
2-methyl-1-(2-methyl-1,2,4-triazol-3-yl)propan-2-amine
CID 64673278
2-benzyl-1-(2-methyl-1,2,4-triazol-3-yl)butan-2-amine
CID 79013746

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine?
The IUPAC name of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine (CID 114286946) is [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine.
What is the SMILES notation for [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine?
The canonical SMILES for [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine is Cn1ncnc1Cc1ccccc1CN.
What is the InChIKey of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine?
The InChIKey is AWKSVFMMWAOWPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-11(13-8-14-15)6-9-4-2-3-5-10(9)7-12/h2-5,8H,6-7,12H2,1H3.
What are the key properties of [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine?
[2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine has a molecular weight of 202.26 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(2-methyl-1,2,4-triazol-3-yl)methyl]phenyl]methanamine is sourced from PubChem (CID 114286946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).