(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine

C11H14N4 — CID 97288693

IUPAC(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
SMILESCn1cnc([C@H](N)Cc2ccccc2)n1
InChIInChI=1S/C11H14N4/c1-15-8-13-11(14-15)10(12)7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3/t10-/m1/s1
InChIKeyYZJXSOVAWZSKDY-SNVBAGLBSA-N
MW202.26 g/mol
LogP1.06
Rot. Bonds3

About (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine

(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine (PubChem CID 97288693) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine.

Molecular Properties

Compound Name(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
PubChem CID97288693
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine
SMILESCn1cnc([C@H](N)Cc2ccccc2)n1
InChIInChI=1S/C11H14N4/c1-15-8-13-11(14-15)10(12)7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3/t10-/m1/s1
InChIKeyYZJXSOVAWZSKDY-SNVBAGLBSA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-1-(1-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 96637208
5-[(1R)-1-amino-2-phenylethyl]-2-methyl-1,2,4-triazol-3-amine
CID 104902564
3,3-dimethyl-1-(1-methyl-1,2,4-triazol-3-yl)butan-1-amine
CID 82407574
1-(3-ethyl-1-methylpyrazol-4-yl)-2-phenylethanamine
CID 102811949
(1-methyl-1,2,4-triazol-3-yl)-phenylmethanol
CID 59330649
5-[(1S)-1-amino-2-phenylethyl]-1-methyl-1,2,4-triazol-3-amine
CID 84682985
N-[1-(1-methyl-1,2,4-triazol-3-yl)ethyl]-3-phenylmethoxybutan-2-amine
CID 126821999
1-[1-(2-phenylethyl)-1,2,4-triazol-3-yl]ethanamine
CID 105359524
(1R)-1-(3-hexylimidazol-4-yl)-2-phenylethanamine
CID 104943240
λ2-plumbane;1-phenylpropan-2-amine
CID 174896483
(1R)-1-[3-(3-methylbutan-2-yl)imidazol-4-yl]-2-phenylethanamine
CID 104941515
5-[(1S)-1-amino-2-phenylethyl]-N,4-dimethyl-1,2,4-triazol-3-amine
CID 104902560

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine?
The IUPAC name of (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine (CID 97288693) is (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine.
What is the SMILES notation for (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine?
The canonical SMILES for (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine is Cn1cnc([C@H](N)Cc2ccccc2)n1.
What is the InChIKey of (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine?
The InChIKey is YZJXSOVAWZSKDY-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H14N4/c1-15-8-13-11(14-15)10(12)7-9-5-3-2-4-6-9/h2-6,8,10H,7,12H2,1H3/t10-/m1/s1.
What are the key properties of (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine?
(1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine has a molecular weight of 202.26 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-methyl-1,2,4-triazol-3-yl)-2-phenylethanamine is sourced from PubChem (CID 97288693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).