1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine

C9H16N4O — CID 83879942

IUPAC1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine
SMILESCOc1nnc(CC(C)N)n1C1CC1
InChIInChI=1S/C9H16N4O/c1-6(10)5-8-11-12-9(14-2)13(8)7-3-4-7/h6-7H,3-5,10H2,1-2H3
InChIKeyFRNSTOMFZXXZFW-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.51
Rot. Bonds4

About 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine

1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine (PubChem CID 83879942) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine
PubChem CID83879942
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine
SMILESCOc1nnc(CC(C)N)n1C1CC1
InChIInChI=1S/C9H16N4O/c1-6(10)5-8-11-12-9(14-2)13(8)7-3-4-7/h6-7H,3-5,10H2,1-2H3
InChIKeyFRNSTOMFZXXZFW-UHFFFAOYSA-N
XLogP0.51
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine 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

3-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propanoic acid
CID 83885364
[4-cyclopropyl-5-(2-methylbutyl)-1,2,4-triazol-3-yl]methanamine
CID 114877746
(4-cyclopropyl-5-propan-2-yl-1,2,4-triazol-3-yl)methanol
CID 115396305
4-cyclopropyl-5-(2-methylpropyl)-1,2,4-triazole-3-sulfonyl fluoride
CID 165466296
3-(chloromethyl)-4-cyclopropyl-5-(ethoxymethyl)-1,2,4-triazole
CID 115397709
1-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)-3-methoxypropan-1-amine
CID 62478267
4-cyclopropyl-3-methoxy-1H-1,2,4-triazole-5-thione
CID 115390265
3-(chloromethyl)-4-cyclopropyl-5-(3-methoxypropyl)-1,2,4-triazole
CID 115397748
(4-cyclopropyl-5-nonyl-1,2,4-triazol-3-yl)methanamine
CID 112593130
1-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)propan-2-amine
CID 43356761
[4-cyclopropyl-5-[methoxy(phenyl)methyl]-1,2,4-triazol-3-yl]methanamine
CID 112593150
5-(2-aminoethyl)-4-cyclopropyl-N-propan-2-yl-1,2,4-triazol-3-amine
CID 83884674

Frequently Asked Questions

What is the IUPAC name of 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine?
The IUPAC name of 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine (CID 83879942) is 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine.
What is the SMILES notation for 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine?
The canonical SMILES for 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine is COc1nnc(CC(C)N)n1C1CC1.
What is the InChIKey of 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine?
The InChIKey is FRNSTOMFZXXZFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-6(10)5-8-11-12-9(14-2)13(8)7-3-4-7/h6-7H,3-5,10H2,1-2H3.
What are the key properties of 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine?
1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine has a molecular weight of 196.25 g/mol, XLogP of 0.51, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-cyclopropyl-5-methoxy-1,2,4-triazol-3-yl)propan-2-amine is sourced from PubChem (CID 83879942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).