(R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine

C14H20N4O — CID 97287536

IUPAC(R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc([C@@H](N)c2n[nH]c(CC(C)C)n2)cc1
InChIInChI=1S/C14H20N4O/c1-9(2)8-12-16-14(18-17-12)13(15)10-4-6-11(19-3)7-5-10/h4-7,9,13H,8,15H2,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyJZXFTPHKOHSIFI-CYBMUJFWSA-N
MW260.34 g/mol
LogP2.06
Rot. Bonds5

About (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine

(R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine (PubChem CID 97287536) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine.

Molecular Properties

Compound Name(R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine
PubChem CID97287536
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC Name(R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine
SMILESCOc1ccc([C@@H](N)c2n[nH]c(CC(C)C)n2)cc1
InChIInChI=1S/C14H20N4O/c1-9(2)8-12-16-14(18-17-12)13(15)10-4-6-11(19-3)7-5-10/h4-7,9,13H,8,15H2,1-3H3,(H,16,17,18)/t13-/m1/s1
InChIKeyJZXFTPHKOHSIFI-CYBMUJFWSA-N
XLogP2.06
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(S)-(3-ethoxy-4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97288230
N-[[3-[(S)-amino-(4-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-yl]methyl]aniline
CID 97287472
(R)-(3,4-dimethoxyphenyl)-[5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 97287616
(S)-(4-methoxyphenyl)-[5-(2-morpholin-4-ylethyl)-1H-1,2,4-triazol-3-yl]methanamine
CID 97287488
(R)-[5-[(4-fluorophenoxy)methyl]-1H-1,2,4-triazol-3-yl]-(4-fluorophenyl)methanamine
CID 97287083
(S)-(5-ethyl-1H-1,2,4-triazol-3-yl)-(4-fluorophenyl)methanamine
CID 97287121
[5-(methoxymethyl)-1H-1,2,4-triazol-3-yl]-phenylmethanamine;hydrochloride
CID 91640314
(S)-(3-ethoxy-4-methoxyphenyl)-[5-[(4-methoxyphenoxy)methyl]-1H-1,2,4-triazol-3-yl]methanamine
CID 97288170
N-[[3-[(S)-amino-(4-fluorophenyl)methyl]-1H-1,2,4-triazol-5-yl]methyl]-3-methoxyaniline
CID 97287085
N-[[3-[(S)-amino-(3-methoxyphenyl)methyl]-1H-1,2,4-triazol-5-yl]methyl]-4-methoxyaniline
CID 97287337
(4-methoxyphenyl)-[3-(2-methylpropyl)phenyl]methanamine
CID 116543817
(S)-[5-[(4-tert-butylphenoxy)methyl]-1H-1,2,4-triazol-3-yl]-(3,4-dimethoxyphenyl)methanamine
CID 97287679

Frequently Asked Questions

What is the IUPAC name of (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine?
The IUPAC name of (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine (CID 97287536) is (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine.
What is the SMILES notation for (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine?
The canonical SMILES for (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine is COc1ccc([C@@H](N)c2n[nH]c(CC(C)C)n2)cc1.
What is the InChIKey of (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine?
The InChIKey is JZXFTPHKOHSIFI-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N4O/c1-9(2)8-12-16-14(18-17-12)13(15)10-4-6-11(19-3)7-5-10/h4-7,9,13H,8,15H2,1-3H3,(H,16,17,18)/t13-/m1/s1.
What are the key properties of (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine?
(R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine has a molecular weight of 260.34 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-(4-methoxyphenyl)-[5-(2-methylpropyl)-1H-1,2,4-triazol-3-yl]methanamine is sourced from PubChem (CID 97287536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).