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

C11H14N4O — CID 59488900

IUPAC[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine
SMILESCOc1ccc(Cn2cc(CN)nn2)cc1
InChIInChI=1S/C11H14N4O/c1-16-11-4-2-9(3-5-11)7-15-8-10(6-12)13-14-15/h2-5,8H,6-7,12H2,1H3
InChIKeyLWNSMHCNLZQLPC-UHFFFAOYSA-N
MW218.26 g/mol
LogP0.79
Rot. Bonds4

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

[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine (PubChem CID 59488900) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is [1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine
PubChem CID59488900
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine
SMILESCOc1ccc(Cn2cc(CN)nn2)cc1
InChIInChI=1S/C11H14N4O/c1-16-11-4-2-9(3-5-11)7-15-8-10(6-12)13-14-15/h2-5,8H,6-7,12H2,1H3
InChIKeyLWNSMHCNLZQLPC-UHFFFAOYSA-N
XLogP0.79
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-Methoxy-benzyl)-1H-pyrazol-4-ylamine
CID 6485350
4-(4-Methoxyphenyl)-1-(3-phenylmethoxypropyl)triazole
CID 24793538
6-(4-Anisolyl)triazolylhexahydroxamic acid
CID 25068481
4-Hydroxy-4-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]cyclohexa-2,5-dien-1-one
CID 46211695
[3-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]boronic acid
CID 145960713
[4-[[4-(4-Methoxyphenyl)triazol-1-yl]methyl]phenyl]boronic acid
CID 145962350
1H-1,2,3-Triazole, 1,4-bis(4-methoxyphenyl)-
CID 11694809
N-hydroxy-5-[1-[(4-methoxyphenyl)methyl]triazol-4-yl]pentanamide
CID 71625574
1-benzyl-4-(phenoxymethyl)-1H-1,2,3-triazole
CID 715186
1-Benzyl-4-(4-methoxyphenyl)-1h-1,2,3-triazole
CID 25185932
1-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-ol
CID 75176208
1-{1-[(4-methoxyphenyl)methyl]-1H-1,2,3-triazol-4-yl}ethan-1-one
CID 52911101

Frequently Asked Questions

What is the IUPAC name of [1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine (CID 59488900) is [1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine is COc1ccc(Cn2cc(CN)nn2)cc1.
What is the InChIKey of [1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine?
The InChIKey is LWNSMHCNLZQLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-16-11-4-2-9(3-5-11)7-15-8-10(6-12)13-14-15/h2-5,8H,6-7,12H2,1H3.
What are the key properties of [1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine?
[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine has a molecular weight of 218.26 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-methoxyphenyl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 59488900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).