[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine

C9H13N5O — CID 62055660

IUPAC[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine
SMILESCc1nc(Cn2cc(CN)nn2)oc1C
InChIInChI=1S/C9H13N5O/c1-6-7(2)15-9(11-6)5-14-4-8(3-10)12-13-14/h4H,3,5,10H2,1-2H3
InChIKeyUGKIACFQAOZOAP-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.39
Rot. Bonds3

About [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine

[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62055660) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine
PubChem CID62055660
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine
SMILESCc1nc(Cn2cc(CN)nn2)oc1C
InChIInChI=1S/C9H13N5O/c1-6-7(2)15-9(11-6)5-14-4-8(3-10)12-13-14/h4H,3,5,10H2,1-2H3
InChIKeyUGKIACFQAOZOAP-UHFFFAOYSA-N
XLogP0.39
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-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

Frequently Asked Questions

What is the IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine (CID 62055660) is [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine is Cc1nc(Cn2cc(CN)nn2)oc1C.
What is the InChIKey of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is UGKIACFQAOZOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-7(2)15-9(11-6)5-14-4-8(3-10)12-13-14/h4H,3,5,10H2,1-2H3.
What are the key properties of [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine?
[1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine has a molecular weight of 207.24 g/mol, XLogP of 0.39, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62055660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).