(1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine

C11H14N4 — CID 90212492

IUPAC(1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine
SMILESCN[C@H](c1ccc(C)cc1)c1cn[nH]n1
InChIInChI=1S/C11H14N4/c1-8-3-5-9(6-4-8)11(12-2)10-7-13-15-14-10/h3-7,11-12H,1-2H3,(H,13,14,15)/t11-/m1/s1
InChIKeyPKMWFBMJJKAFKL-LLVKDONJSA-N
MW202.26 g/mol
LogP1.42
Rot. Bonds3

About (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine

(1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine (PubChem CID 90212492) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine.

Molecular Properties

Compound Name(1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine
PubChem CID90212492
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name(1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine
SMILESCN[C@H](c1ccc(C)cc1)c1cn[nH]n1
InChIInChI=1S/C11H14N4/c1-8-3-5-9(6-4-8)11(12-2)10-7-13-15-14-10/h3-7,11-12H,1-2H3,(H,13,14,15)/t11-/m1/s1
InChIKeyPKMWFBMJJKAFKL-LLVKDONJSA-N
XLogP1.42
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 107289217
N-methyl-1-quinolin-7-yl-1-(2H-triazol-4-yl)methanamine
CID 81224032
N-methyl-1-(1-methylpyrazol-3-yl)-1-(2H-triazol-4-yl)methanamine
CID 103131221
N-[(R)-(4-tert-butylphenyl)-(2H-triazol-4-yl)methyl]propan-2-amine
CID 153440551
N-methyl-1-[2-methyl-4-(trifluoromethyl)phenyl]-1-(2H-triazol-4-yl)methanamine
CID 102754821
[(3-fluoro-4-methylphenyl)-(2H-triazol-4-yl)methyl]hydrazine
CID 107130852
4-[(R)-methylamino-(4-methylphenyl)methyl]aniline
CID 90212370
1-[4-(aminomethyl)phenyl]-N-methyl-1-(4-methylphenyl)methanamine
CID 116952210
N-[(4-cyclobutylphenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 116506363
1-(4-fluorophenyl)-1-(5-fluoro-2-pyridinyl)-N-methylmethanamine
CID 79712823
N-[(2-chloro-5-fluorophenyl)-(2H-triazol-4-yl)methyl]ethanamine
CID 105395319
N-methyl-1-(4-methylphenyl)-1-(1-phenylpyrazol-3-yl)methanamine
CID 105092106

Frequently Asked Questions

What is the IUPAC name of (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine?
The IUPAC name of (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine (CID 90212492) is (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine.
What is the SMILES notation for (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine?
The canonical SMILES for (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine is CN[C@H](c1ccc(C)cc1)c1cn[nH]n1.
What is the InChIKey of (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine?
The InChIKey is PKMWFBMJJKAFKL-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-3-5-9(6-4-8)11(12-2)10-7-13-15-14-10/h3-7,11-12H,1-2H3,(H,13,14,15)/t11-/m1/s1.
What are the key properties of (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine?
(1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine has a molecular weight of 202.26 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-N-methyl-1-(4-methylphenyl)-1-(2H-triazol-4-yl)methanamine is sourced from PubChem (CID 90212492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).