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

C12H18N6O — CID 66281554

IUPAC7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(c1cc2n[nH]c(=O)n2cn1)C1CCNC1
InChIInChI=1S/C12H18N6O/c1-2-5-17(9-3-4-13-7-9)10-6-11-15-16-12(19)18(11)8-14-10/h6,8-9,13H,2-5,7H2,1H3,(H,16,19)
InChIKeyZTJVRHXAICBXFM-UHFFFAOYSA-N
MW262.32 g/mol
LogP-0.00
Rot. Bonds4

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

7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66281554) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66281554
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCCCN(c1cc2n[nH]c(=O)n2cn1)C1CCNC1
InChIInChI=1S/C12H18N6O/c1-2-5-17(9-3-4-13-7-9)10-6-11-15-16-12(19)18(11)8-14-10/h6,8-9,13H,2-5,7H2,1H3,(H,16,19)
InChIKeyZTJVRHXAICBXFM-UHFFFAOYSA-N
XLogP-0.00
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 ≤ 5-0.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66281554) is 7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is CCCN(c1cc2n[nH]c(=O)n2cn1)C1CCNC1.
What is the InChIKey of 7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is ZTJVRHXAICBXFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-2-5-17(9-3-4-13-7-9)10-6-11-15-16-12(19)18(11)8-14-10/h6,8-9,13H,2-5,7H2,1H3,(H,16,19).
What are the key properties of 7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 262.32 g/mol, XLogP of -0.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[propyl(pyrrolidin-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66281554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).