[4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine

C17H18N4O — CID 82222321

IUPAC[4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine
SMILESCOc1cccc(-c2cnnn2Cc2ccc(CN)cc2)c1
InChIInChI=1S/C17H18N4O/c1-22-16-4-2-3-15(9-16)17-11-19-20-21(17)12-14-7-5-13(10-18)6-8-14/h2-9,11H,10,12,18H2,1H3
InChIKeyRVMOSKYJKOPCNC-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.46
Rot. Bonds5

About [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine

[4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine (PubChem CID 82222321) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine.

Molecular Properties

Compound Name[4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine
PubChem CID82222321
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name[4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine
SMILESCOc1cccc(-c2cnnn2Cc2ccc(CN)cc2)c1
InChIInChI=1S/C17H18N4O/c1-22-16-4-2-3-15(9-16)17-11-19-20-21(17)12-14-7-5-13(10-18)6-8-14/h2-9,11H,10,12,18H2,1H3
InChIKeyRVMOSKYJKOPCNC-UHFFFAOYSA-N
XLogP2.46
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[1-benzyl-5-(3-methoxyphenyl)pyrazol-3-yl]methanamine
CID 82072444
[4-(3-methoxyphenyl)phenyl]methanamine;hydrochloride
CID 71432523
4-[(5-naphthalen-2-yltriazol-1-yl)methyl]aniline
CID 82222156
4-chloro-1-[(4-ethenylphenyl)methyl]-3,5-bis(3-methoxyphenyl)pyrazole
CID 17025443
1-[(3-methylphenyl)methyl]-5-phenyltriazole
CID 14612081
3-(chloromethyl)-5-(3-methoxyphenyl)-1-methylpyrazole
CID 82129617
4-bromo-3,5-bis(3-methoxyphenyl)-1-[(4-methoxyphenyl)methyl]pyrazole
CID 19586223
[3-(3-methoxyphenyl)imidazo[1,5-a]pyridin-6-yl]methanamine
CID 117138394
[1-[(3-fluorophenyl)methyl]-5-(3-methoxyphenyl)triazol-4-yl]methanamine
CID 94946400
[1-ethyl-5-(3-methoxyphenyl)pyrazol-4-yl]methanamine
CID 105489897
[5-(3-methoxyphenyl)-1-methyltriazol-4-yl]methanamine
CID 82207885
[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methanamine
CID 79487408

Frequently Asked Questions

What is the IUPAC name of [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine?
The IUPAC name of [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine (CID 82222321) is [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine.
What is the SMILES notation for [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine?
The canonical SMILES for [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine is COc1cccc(-c2cnnn2Cc2ccc(CN)cc2)c1.
What is the InChIKey of [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine?
The InChIKey is RVMOSKYJKOPCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-16-4-2-3-15(9-16)17-11-19-20-21(17)12-14-7-5-13(10-18)6-8-14/h2-9,11H,10,12,18H2,1H3.
What are the key properties of [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine?
[4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine has a molecular weight of 294.36 g/mol, XLogP of 2.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-(3-methoxyphenyl)triazol-1-yl]methyl]phenyl]methanamine is sourced from PubChem (CID 82222321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).