3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one

C11H15N5O — CID 82993003

IUPAC3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
SMILESCC(C)n1ncnc1Cn1ccc(=O)c(N)c1
InChIInChI=1S/C11H15N5O/c1-8(2)16-11(13-7-14-16)6-15-4-3-10(17)9(12)5-15/h3-5,7-8H,6,12H2,1-2H3
InChIKeyDYZCOWNSTRYPOX-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.65
Rot. Bonds3

About 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one

3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one (PubChem CID 82993003) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
PubChem CID82993003
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
SMILESCC(C)n1ncnc1Cn1ccc(=O)c(N)c1
InChIInChI=1S/C11H15N5O/c1-8(2)16-11(13-7-14-16)6-15-4-3-10(17)9(12)5-15/h3-5,7-8H,6,12H2,1-2H3
InChIKeyDYZCOWNSTRYPOX-UHFFFAOYSA-N
XLogP0.65
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one (CID 82993003) is 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one is CC(C)n1ncnc1Cn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The InChIKey is DYZCOWNSTRYPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-8(2)16-11(13-7-14-16)6-15-4-3-10(17)9(12)5-15/h3-5,7-8H,6,12H2,1-2H3.
What are the key properties of 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one has a molecular weight of 233.28 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-propan-2-yl-1,2,4-triazol-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82993003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).