[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine

C14H20N4O2 — CID 82207058

IUPAC[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine
SMILESCOc1ccc(-c2c(CN)nnn2C(C)C)cc1OC
InChIInChI=1S/C14H20N4O2/c1-9(2)18-14(11(8-15)16-17-18)10-5-6-12(19-3)13(7-10)20-4/h5-7,9H,8,15H2,1-4H3
InChIKeyQHSMBRUFFJNSKV-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.00
Rot. Bonds5

About [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine

[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine (PubChem CID 82207058) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine
PubChem CID82207058
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine
SMILESCOc1ccc(-c2c(CN)nnn2C(C)C)cc1OC
InChIInChI=1S/C14H20N4O2/c1-9(2)18-14(11(8-15)16-17-18)10-5-6-12(19-3)13(7-10)20-4/h5-7,9H,8,15H2,1-4H3
InChIKeyQHSMBRUFFJNSKV-UHFFFAOYSA-N
XLogP2.00
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-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

[5-(3,4-dimethoxyphenyl)-1-propyltriazol-4-yl]methanamine
CID 82205143
[5-(3,4-dichlorophenyl)-1-propan-2-yltriazol-4-yl]methanol
CID 82206876
[1-(2-methoxy-5-methylphenyl)-5-(2-methylpropyl)triazol-4-yl]methanamine
CID 82200710
[1-(1-methoxypropan-2-yl)-5-(2-methylpyrazol-3-yl)triazol-4-yl]methanamine
CID 165474789
[1-(1-phenylethyl)-5-pyridin-4-yltriazol-4-yl]methanamine
CID 82206282
2-[4-(aminomethyl)-5-(3,4,5-trimethoxyphenyl)triazol-1-yl]ethanol
CID 94945382
[5-[2-(3,4-dimethoxyphenyl)ethyl]-1-ethyltriazol-4-yl]methanamine
CID 82207504
[2-(3,4-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methanamine;hydrochloride
CID 45156819
[5-(3,4-dimethylphenyl)-1-(2-methylpropyl)triazol-4-yl]methanamine
CID 82208795
[5-(3,4-dimethoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]methanamine
CID 82131112
[1-(2,5-dimethoxyphenyl)-5-propan-2-yltriazol-4-yl]methanamine
CID 82198669
5-(3,4-dimethoxyphenyl)-3-(3-propan-2-ylbenzotriazol-5-yl)-1,2,4-oxadiazole
CID 53172650

Frequently Asked Questions

What is the IUPAC name of [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine?
The IUPAC name of [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine (CID 82207058) is [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine?
The canonical SMILES for [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine is COc1ccc(-c2c(CN)nnn2C(C)C)cc1OC.
What is the InChIKey of [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine?
The InChIKey is QHSMBRUFFJNSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9(2)18-14(11(8-15)16-17-18)10-5-6-12(19-3)13(7-10)20-4/h5-7,9H,8,15H2,1-4H3.
What are the key properties of [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine?
[5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine has a molecular weight of 276.34 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,4-dimethoxyphenyl)-1-propan-2-yltriazol-4-yl]methanamine is sourced from PubChem (CID 82207058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).