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

C9H11N5O — CID 82993889

IUPAC3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
SMILESCn1ncnc1Cn1ccc(=O)c(N)c1
InChIInChI=1S/C9H11N5O/c1-13-9(11-6-12-13)5-14-3-2-8(15)7(10)4-14/h2-4,6H,5,10H2,1H3
InChIKeyCGNDPRKJQGZJCZ-UHFFFAOYSA-N
MW205.22 g/mol
LogP-0.39
Rot. Bonds2

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

3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one (PubChem CID 82993889) has the molecular formula C9H11N5O and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one.

Molecular Properties

Compound Name3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
PubChem CID82993889
Molecular FormulaC9H11N5O
Molecular Weight205.22 g/mol
Exact Mass205.10
IUPAC Name3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one
SMILESCn1ncnc1Cn1ccc(=O)c(N)c1
InChIInChI=1S/C9H11N5O/c1-13-9(11-6-12-13)5-14-3-2-8(15)7(10)4-14/h2-4,6H,5,10H2,1H3
InChIKeyCGNDPRKJQGZJCZ-UHFFFAOYSA-N
XLogP-0.39
TPSA78.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 5-0.39
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-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The IUPAC name of 3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one (CID 82993889) is 3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one.
What is the SMILES notation for 3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The canonical SMILES for 3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one is Cn1ncnc1Cn1ccc(=O)c(N)c1.
What is the InChIKey of 3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
The InChIKey is CGNDPRKJQGZJCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5O/c1-13-9(11-6-12-13)5-14-3-2-8(15)7(10)4-14/h2-4,6H,5,10H2,1H3.
What are the key properties of 3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one?
3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one has a molecular weight of 205.22 g/mol, XLogP of -0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-[(2-methyl-1,2,4-triazol-3-yl)methyl]pyridin-4-one is sourced from PubChem (CID 82993889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).