(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine

C13H18N4O2 — CID 97052988

IUPAC(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCCOc1ccc([C@@H](N)c2ncn[nH]2)cc1OCC
InChIInChI=1S/C13H18N4O2/c1-3-18-10-6-5-9(7-11(10)19-4-2)12(14)13-15-8-16-17-13/h5-8,12H,3-4,14H2,1-2H3,(H,15,16,17)/t12-/m1/s1
InChIKeyLPMCBHLKXFPGLH-GFCCVEGCSA-N
MW262.31 g/mol
LogP1.65
Rot. Bonds6

About (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine

(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine (PubChem CID 97052988) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine.

Molecular Properties

Compound Name(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
PubChem CID97052988
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
SMILESCCOc1ccc([C@@H](N)c2ncn[nH]2)cc1OCC
InChIInChI=1S/C13H18N4O2/c1-3-18-10-6-5-9(7-11(10)19-4-2)12(14)13-15-8-16-17-13/h5-8,12H,3-4,14H2,1-2H3,(H,15,16,17)/t12-/m1/s1
InChIKeyLPMCBHLKXFPGLH-GFCCVEGCSA-N
XLogP1.65
TPSA86.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-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

(S)-(3-tert-butyl-1H-1,2,4-triazol-5-yl)-(3,4-diethoxyphenyl)methanamine
CID 97288354
4-[5-[(R)-amino-(3,4-diethoxyphenyl)methyl]-1H-1,2,4-triazol-3-yl]phenol
CID 136902704
(4-fluorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362903
(S)-(3,4-dimethoxyphenyl)-[3-(3-ethoxy-4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97287695
(R)-(3,4-diethoxyphenyl)-[3-[4-(trifluoromethyl)phenyl]-1H-1,2,4-triazol-5-yl]methanamine
CID 97288341
(S)-(4-chlorophenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 96995614
(5-chloro-2-methoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 65362666
(2-methylquinolin-6-yl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 81231338
2-amino-1-(3,4-diethoxyphenyl)ethanol
CID 18627975
(R)-(4-ethoxy-3-methoxyphenyl)-[3-(3,4,5-trimethoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97288001
(S)-(4-ethoxy-3-methoxyphenyl)-[3-(2-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methanamine
CID 97288056
(3,4-diethoxyphenyl)-(2-methyl-1,3-thiazol-4-yl)methanamine
CID 105143436

Frequently Asked Questions

What is the IUPAC name of (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The IUPAC name of (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine (CID 97052988) is (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine.
What is the SMILES notation for (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The canonical SMILES for (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine is CCOc1ccc([C@@H](N)c2ncn[nH]2)cc1OCC.
What is the InChIKey of (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
The InChIKey is LPMCBHLKXFPGLH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-18-10-6-5-9(7-11(10)19-4-2)12(14)13-15-8-16-17-13/h5-8,12H,3-4,14H2,1-2H3,(H,15,16,17)/t12-/m1/s1.
What are the key properties of (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine?
(R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine has a molecular weight of 262.31 g/mol, XLogP of 1.65, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(3,4-diethoxyphenyl)-(1H-1,2,4-triazol-5-yl)methanamine is sourced from PubChem (CID 97052988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).