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

C10H15N5O — CID 86795178

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2c(C)noc2C)n(C)n1
InChIInChI=1S/C10H15N5O/c1-6-9(7(2)16-14-6)5-11-10-12-8(3)13-15(10)4/h5H2,1-4H3,(H,11,12,13)
InChIKeyWPOMIMNRRRIWLJ-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.34
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (PubChem CID 86795178) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
PubChem CID86795178
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine
SMILESCc1nc(NCc2c(C)noc2C)n(C)n1
InChIInChI=1S/C10H15N5O/c1-6-9(7(2)16-14-6)5-11-10-12-8(3)13-15(10)4/h5H2,1-4H3,(H,11,12,13)
InChIKeyWPOMIMNRRRIWLJ-UHFFFAOYSA-N
XLogP1.34
TPSA68.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine (CID 86795178) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is Cc1nc(NCc2c(C)noc2C)n(C)n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
The InChIKey is WPOMIMNRRRIWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-6-9(7(2)16-14-6)5-11-10-12-8(3)13-15(10)4/h5H2,1-4H3,(H,11,12,13).
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine has a molecular weight of 221.26 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,5-dimethyl-1,2,4-triazol-3-amine is sourced from PubChem (CID 86795178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).