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

C11H16N6O — CID 66281513

IUPAC7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNCCCN(c1cc2n[nH]c(=O)n2cn1)C1CC1
InChIInChI=1S/C11H16N6O/c12-4-1-5-16(8-2-3-8)9-6-10-14-15-11(18)17(10)7-13-9/h6-8H,1-5,12H2,(H,15,18)
InChIKeyKRWKONVZPFCSQO-UHFFFAOYSA-N
MW248.29 g/mol
LogP-0.26
Rot. Bonds5

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

7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281513) has the molecular formula C11H16N6O and a molecular weight of 248.29 g/mol. Its IUPAC name is 7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281513
Molecular FormulaC11H16N6O
Molecular Weight248.29 g/mol
Exact Mass248.14
IUPAC Name7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNCCCN(c1cc2n[nH]c(=O)n2cn1)C1CC1
InChIInChI=1S/C11H16N6O/c12-4-1-5-16(8-2-3-8)9-6-10-14-15-11(18)17(10)7-13-9/h6-8H,1-5,12H2,(H,15,18)
InChIKeyKRWKONVZPFCSQO-UHFFFAOYSA-N
XLogP-0.26
TPSA92.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281513) is 7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is NCCCN(c1cc2n[nH]c(=O)n2cn1)C1CC1.
What is the InChIKey of 7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is KRWKONVZPFCSQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6O/c12-4-1-5-16(8-2-3-8)9-6-10-14-15-11(18)17(10)7-13-9/h6-8H,1-5,12H2,(H,15,18).
What are the key properties of 7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 248.29 g/mol, XLogP of -0.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-aminopropyl(cyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).