7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C11H16N6O — CID 114697211

IUPAC7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1(Nc2cc3n[nH]c(=O)n3cn2)CCNCC1
InChIInChI=1S/C11H16N6O/c1-11(2-4-12-5-3-11)14-8-6-9-15-16-10(18)17(9)7-13-8/h6-7,12,14H,2-5H2,1H3,(H,16,18)
InChIKeyOXNRWCZWGCIJBB-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.03
Rot. Bonds2

About 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 114697211) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID114697211
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC1(Nc2cc3n[nH]c(=O)n3cn2)CCNCC1
InChIInChI=1S/C11H16N6O/c1-11(2-4-12-5-3-11)14-8-6-9-15-16-10(18)17(9)7-13-8/h6-7,12,14H,2-5H2,1H3,(H,16,18)
InChIKeyOXNRWCZWGCIJBB-UHFFFAOYSA-N
XLogP-0.03
TPSA87.11 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 114697211) is 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC1(Nc2cc3n[nH]c(=O)n3cn2)CCNCC1.
What is the InChIKey of 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is OXNRWCZWGCIJBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c1-11(2-4-12-5-3-11)14-8-6-9-15-16-10(18)17(9)7-13-8/h6-7,12,14H,2-5H2,1H3,(H,16,18).
What are the key properties of 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.03, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 114697211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).