1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine

C10H15N5O — CID 79542851

IUPAC1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(C)on1
InChIInChI=1S/C10H15N5O/c1-3-4-9-10(11)12-14-15(9)6-8-5-7(2)16-13-8/h5H,3-4,6,11H2,1-2H3
InChIKeyRAOJSYBPWDEQQN-UHFFFAOYSA-N
MW221.26 g/mol
LogP1.16
Rot. Bonds4

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

1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine (PubChem CID 79542851) has the molecular formula C10H15N5O and a molecular weight of 221.26 g/mol. Its IUPAC name is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine.

Molecular Properties

Compound Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
PubChem CID79542851
Molecular FormulaC10H15N5O
Molecular Weight221.26 g/mol
Exact Mass221.13
IUPAC Name1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine
SMILESCCCc1c(N)nnn1Cc1cc(C)on1
InChIInChI=1S/C10H15N5O/c1-3-4-9-10(11)12-14-15(9)6-8-5-7(2)16-13-8/h5H,3-4,6,11H2,1-2H3
InChIKeyRAOJSYBPWDEQQN-UHFFFAOYSA-N
XLogP1.16
TPSA82.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine?
The IUPAC name of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine (CID 79542851) is 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine.
What is the SMILES notation for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine?
The canonical SMILES for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine is CCCc1c(N)nnn1Cc1cc(C)on1.
What is the InChIKey of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine?
The InChIKey is RAOJSYBPWDEQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O/c1-3-4-9-10(11)12-14-15(9)6-8-5-7(2)16-13-8/h5H,3-4,6,11H2,1-2H3.
What are the key properties of 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine?
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine has a molecular weight of 221.26 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-methyl-1,2-oxazol-3-yl)methyl]-5-propyltriazol-4-amine is sourced from PubChem (CID 79542851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).