7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C13H14N6O — CID 82740487

IUPAC7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1cccnc1CNc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C13H14N6O/c1-2-9-4-3-5-14-10(9)7-15-11-6-12-17-18-13(20)19(12)8-16-11/h3-6,8,15H,2,7H2,1H3,(H,18,20)
InChIKeyHPWJTHIWZOJWKJ-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.99
Rot. Bonds4

About 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 82740487) has the molecular formula C13H14N6O and a molecular weight of 270.30 g/mol. Its IUPAC name is 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID82740487
Molecular FormulaC13H14N6O
Molecular Weight270.30 g/mol
Exact Mass270.12
IUPAC Name7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCc1cccnc1CNc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C13H14N6O/c1-2-9-4-3-5-14-10(9)7-15-11-6-12-17-18-13(20)19(12)8-16-11/h3-6,8,15H,2,7H2,1H3,(H,18,20)
InChIKeyHPWJTHIWZOJWKJ-UHFFFAOYSA-N
XLogP0.99
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 82740487) is 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCc1cccnc1CNc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is HPWJTHIWZOJWKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N6O/c1-2-9-4-3-5-14-10(9)7-15-11-6-12-17-18-13(20)19(12)8-16-11/h3-6,8,15H,2,7H2,1H3,(H,18,20).
What are the key properties of 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 270.30 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(3-ethyl-2-pyridinyl)methylamino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 82740487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).