N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine

C11H14N4 — CID 115682087

IUPACN-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
SMILESCn1nncc1CNCc1ccccc1
InChIInChI=1S/C11H14N4/c1-15-11(9-13-14-15)8-12-7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyJHQYCVJPKXYBPB-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.10
Rot. Bonds4

About N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine

N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine (PubChem CID 115682087) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound NameN-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
PubChem CID115682087
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC NameN-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine
SMILESCn1nncc1CNCc1ccccc1
InChIInChI=1S/C11H14N4/c1-15-11(9-13-14-15)8-12-7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3
InChIKeyJHQYCVJPKXYBPB-UHFFFAOYSA-N
XLogP1.10
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-fluorophenyl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115682021
N-[(3-methyltriazol-4-yl)methyl]-1-[4-(trifluoromethyl)phenyl]methanamine
CID 115682218
N-[(3-methyltriazol-4-yl)methyl]-2-phenylpropan-1-amine
CID 115682110
2-methyl-N-[(3-methyltriazol-4-yl)methyl]-4-phenylbutan-2-amine
CID 115682655
3,3-dimethyl-N-[(3-methyltriazol-4-yl)methyl]butan-1-amine
CID 115682257
N-[(3-methyltriazol-4-yl)methyl]pentan-1-amine
CID 115682072
(2R)-2-[(3-methyltriazol-4-yl)methylamino]-2-phenylethanol
CID 113257729
1-(4-chloro-1-methylpyrrol-2-yl)-N-[(3-methyltriazol-4-yl)methyl]methanamine
CID 115693317
N-[(1-methylimidazol-2-yl)methyl]-1-(3-methyltriazol-4-yl)methanamine
CID 115682578
N-[(1-methyl-3-propan-2-ylpyrazol-5-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126967265
2-(4-methoxyphenyl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682028
1-(furan-2-yl)-N-[(3-methyltriazol-4-yl)methyl]ethanamine
CID 115682172

Frequently Asked Questions

What is the IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine?
The IUPAC name of N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine (CID 115682087) is N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine is Cn1nncc1CNCc1ccccc1.
What is the InChIKey of N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine?
The InChIKey is JHQYCVJPKXYBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-11(9-13-14-15)8-12-7-10-5-3-2-4-6-10/h2-6,9,12H,7-8H2,1H3.
What are the key properties of N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine?
N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methyltriazol-4-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 115682087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).