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

C9H13N5O — CID 62055899

IUPAC[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine
SMILESCc1noc(C)c1Cn1cc(CN)nn1
InChIInChI=1S/C9H13N5O/c1-6-9(7(2)15-12-6)5-14-4-8(3-10)11-13-14/h4H,3,5,10H2,1-2H3
InChIKeyPATVRYMLEMLYLL-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.39
Rot. Bonds3

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

[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine (PubChem CID 62055899) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine
PubChem CID62055899
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC Name[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine
SMILESCc1noc(C)c1Cn1cc(CN)nn1
InChIInChI=1S/C9H13N5O/c1-6-9(7(2)15-12-6)5-14-4-8(3-10)11-13-14/h4H,3,5,10H2,1-2H3
InChIKeyPATVRYMLEMLYLL-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

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Related Compounds

2-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]ethanamine
CID 116641942
[1-[[3,5-bis[[4-(aminomethyl)triazol-1-yl]methyl]-2,4,6-trimethylphenyl]methyl]triazol-4-yl]methanamine
CID 172508919
2-[4-(aminomethyl)triazol-1-yl]-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N-methylacetamide
CID 115459393
[1-[(4-methylphenyl)methyl]triazol-4-yl]methanamine
CID 62054469
[1-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl]triazol-4-yl]methanamine
CID 62055902
[1-[(2,6-difluorophenyl)methyl]triazol-4-yl]methanamine
CID 114933213
[1-[(2,3,6-trichlorophenyl)methyl]triazol-4-yl]methanamine
CID 82204215
4-[(4-benzyltriazol-1-yl)methyl]-3-methyl-5-(4-phenylphenyl)-1,2-oxazole
CID 141297263
3,5-dimethyl-4-[[4-(5-phenyl-1H-pyrazol-4-yl)triazol-1-yl]methyl]-1,2-oxazole
CID 70748599
4-[(4-ethenylpyrazol-1-yl)methyl]-3,5-dimethyl-1,2-oxazole
CID 122240819
3,5-dimethyl-4-[(4-pyrrol-1-ylpyrazol-1-yl)methyl]-1,2-oxazole
CID 71981003
[1-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]triazol-4-yl]methanamine
CID 113313968

Frequently Asked Questions

What is the IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine?
The IUPAC name of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine (CID 62055899) is [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine.
What is the SMILES notation for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine?
The canonical SMILES for [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine is Cc1noc(C)c1Cn1cc(CN)nn1.
What is the InChIKey of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine?
The InChIKey is PATVRYMLEMLYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6-9(7(2)15-12-6)5-14-4-8(3-10)11-13-14/h4H,3,5,10H2,1-2H3.
What are the key properties of [1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine?
[1-[(3,5-dimethyl-1,2-oxazol-4-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]triazol-4-yl]methanamine is sourced from PubChem (CID 62055899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).