(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine

C13H18N4O2 — CID 97287703

IUPAC(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
SMILESCOc1ccc([C@H](N)c2nc(C)n(C)n2)cc1OC
InChIInChI=1S/C13H18N4O2/c1-8-15-13(16-17(8)2)12(14)9-5-6-10(18-3)11(7-9)19-4/h5-7,12H,14H2,1-4H3/t12-/m0/s1
InChIKeyOTFBHHAOVCKLMW-LBPRGKRZSA-N
MW262.31 g/mol
LogP1.19
Rot. Bonds4

About (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine

(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine (PubChem CID 97287703) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine.

Molecular Properties

Compound Name(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
PubChem CID97287703
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
SMILESCOc1ccc([C@H](N)c2nc(C)n(C)n2)cc1OC
InChIInChI=1S/C13H18N4O2/c1-8-15-13(16-17(8)2)12(14)9-5-6-10(18-3)11(7-9)19-4/h5-7,12H,14H2,1-4H3/t12-/m0/s1
InChIKeyOTFBHHAOVCKLMW-LBPRGKRZSA-N
XLogP1.19
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(R)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine
CID 97287702
(S)-(1,5-dimethyl-1,2,4-triazol-3-yl)-(3-ethoxy-4-methoxyphenyl)methanamine
CID 97288258
(R)-(4-ethoxy-3-methoxyphenyl)-(1-methyl-1,2,4-triazol-3-yl)methanamine
CID 97288117
(3,4-dimethoxyphenyl)-(6-methyl-2-pyridinyl)methanamine
CID 63553809
(3,4-dimethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105141242
1,3-bis(3,4-dimethoxyphenyl)propane-1,3-diamine
CID 14816116
(3,4-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanamine;hydrochloride
CID 52983573
(S)-(3,4-dimethoxyphenyl)-(3-propan-2-yl-1H-1,2,4-triazol-5-yl)methanamine
CID 97287579
(3,4-dimethoxyphenyl)-(5-methyl-1,3-thiazol-2-yl)methanamine
CID 43559005
(3,4-dimethoxyphenyl)-(4-methyl-1,3-thiazol-5-yl)methanamine
CID 105141195
(R)-(3,4-dimethoxyphenyl)-[5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 97287616
(4S)-4-amino-4-(3,4-dimethoxyphenyl)butan-2-ol
CID 71044038

Frequently Asked Questions

What is the IUPAC name of (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine?
The IUPAC name of (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine (CID 97287703) is (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine.
What is the SMILES notation for (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine?
The canonical SMILES for (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine is COc1ccc([C@H](N)c2nc(C)n(C)n2)cc1OC.
What is the InChIKey of (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine?
The InChIKey is OTFBHHAOVCKLMW-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-8-15-13(16-17(8)2)12(14)9-5-6-10(18-3)11(7-9)19-4/h5-7,12H,14H2,1-4H3/t12-/m0/s1.
What are the key properties of (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine?
(S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine has a molecular weight of 262.31 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-(3,4-dimethoxyphenyl)-(1,5-dimethyl-1,2,4-triazol-3-yl)methanamine is sourced from PubChem (CID 97287703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).