7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C12H18N6O — CID 66281534

IUPAC7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(CN1CCCC1)Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C12H18N6O/c1-9(7-17-4-2-3-5-17)14-10-6-11-15-16-12(19)18(11)8-13-10/h6,8-9,14H,2-5,7H2,1H3,(H,16,19)
InChIKeyJCRNNCXNJLZGHK-UHFFFAOYSA-N
MW262.32 g/mol
LogP0.31
Rot. Bonds4

About 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281534) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281534
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCC(CN1CCCC1)Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C12H18N6O/c1-9(7-17-4-2-3-5-17)14-10-6-11-15-16-12(19)18(11)8-13-10/h6,8-9,14H,2-5,7H2,1H3,(H,16,19)
InChIKeyJCRNNCXNJLZGHK-UHFFFAOYSA-N
XLogP0.31
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281534) is 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CC(CN1CCCC1)Nc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is JCRNNCXNJLZGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-9(7-17-4-2-3-5-17)14-10-6-11-15-16-12(19)18(11)8-13-10/h6,8-9,14H,2-5,7H2,1H3,(H,16,19).
What are the key properties of 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 262.32 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-pyrrolidin-1-ylpropan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).