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

C9H13N5O — CID 106417419

IUPACN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCCn1ncnc1CNCc1ccno1
InChIInChI=1S/C9H13N5O/c1-2-14-9(11-7-12-14)6-10-5-8-3-4-13-15-8/h3-4,7,10H,2,5-6H2,1H3
InChIKeyYVGDQBGHKABARG-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.58
Rot. Bonds5

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

N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 106417419) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
PubChem CID106417419
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESCCn1ncnc1CNCc1ccno1
InChIInChI=1S/C9H13N5O/c1-2-14-9(11-7-12-14)6-10-5-8-3-4-13-15-8/h3-4,7,10H,2,5-6H2,1H3
InChIKeyYVGDQBGHKABARG-UHFFFAOYSA-N
XLogP0.58
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2-oxazol-5-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 165349203
N-[(1-ethylpyrazol-4-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 104665276
1-(1-ethylpyrrol-3-yl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 106415106
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]propan-2-amine
CID 62696832
1-(4-methylsulfanylphenyl)-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 104665246
2-ethoxy-N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylpropan-1-amine
CID 114941761
N-methyl-1-(1,2-oxazol-5-yl)methanamine
CID 23006271
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]pyrrol-1-amine
CID 79101247
N-[[2-(2-fluoroethyl)-1,2,4-triazol-3-yl]methyl]ethanamine
CID 80695802
N-[[1-(chloromethyl)cyclopropyl]methyl]-1-(2-ethyl-1,2,4-triazol-3-yl)methanamine
CID 115455596
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine
CID 106417609
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-thiomorpholin-4-ylethanamine
CID 114173761

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine (CID 106417419) is N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is CCn1ncnc1CNCc1ccno1.
What is the InChIKey of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is YVGDQBGHKABARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-2-14-9(11-7-12-14)6-10-5-8-3-4-13-15-8/h3-4,7,10H,2,5-6H2,1H3.
What are the key properties of N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine?
N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 207.24 g/mol, XLogP of 0.58, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethyl-1,2,4-triazol-3-yl)methyl]-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 106417419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).