(6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone

C9H9N5O — CID 130688340

IUPAC(6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCn1ncnc1C(=O)c1cccc(N)n1
InChIInChI=1S/C9H9N5O/c1-14-9(11-5-12-14)8(15)6-3-2-4-7(10)13-6/h2-5H,1H3,(H2,10,13)
InChIKeyGEGNQFSZCJKNHS-UHFFFAOYSA-N
MW203.21 g/mol
LogP0.02
Rot. Bonds2

About (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone

(6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone (PubChem CID 130688340) has the molecular formula C9H9N5O and a molecular weight of 203.21 g/mol. Its IUPAC name is (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone.

Molecular Properties

Compound Name(6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
PubChem CID130688340
Molecular FormulaC9H9N5O
Molecular Weight203.21 g/mol
Exact Mass203.08
IUPAC Name(6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
SMILESCn1ncnc1C(=O)c1cccc(N)n1
InChIInChI=1S/C9H9N5O/c1-14-9(11-5-12-14)8(15)6-3-2-4-7(10)13-6/h2-5H,1H3,(H2,10,13)
InChIKeyGEGNQFSZCJKNHS-UHFFFAOYSA-N
XLogP0.02
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.21
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
The IUPAC name of (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone (CID 130688340) is (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone.
What is the SMILES notation for (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
The canonical SMILES for (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone is Cn1ncnc1C(=O)c1cccc(N)n1.
What is the InChIKey of (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
The InChIKey is GEGNQFSZCJKNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-14-9(11-5-12-14)8(15)6-3-2-4-7(10)13-6/h2-5H,1H3,(H2,10,13).
What are the key properties of (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone?
(6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone has a molecular weight of 203.21 g/mol, XLogP of 0.02, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6-amino-2-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone is sourced from PubChem (CID 130688340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).