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

C8H10N6O — CID 66283501

IUPAC7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNC1CC1Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C8H10N6O/c9-4-1-5(4)11-6-2-7-12-13-8(15)14(7)3-10-6/h2-5,11H,1,9H2,(H,13,15)
InChIKeyIBLKATGXEBTTOD-UHFFFAOYSA-N
MW206.21 g/mol
LogP-1.07
Rot. Bonds2

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

7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283501) has the molecular formula C8H10N6O and a molecular weight of 206.21 g/mol. Its IUPAC name is 7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283501
Molecular FormulaC8H10N6O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESNC1CC1Nc1cc2n[nH]c(=O)n2cn1
InChIInChI=1S/C8H10N6O/c9-4-1-5(4)11-6-2-7-12-13-8(15)14(7)3-10-6/h2-5,11H,1,9H2,(H,13,15)
InChIKeyIBLKATGXEBTTOD-UHFFFAOYSA-N
XLogP-1.07
TPSA101.10 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 5-1.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283501) is 7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is NC1CC1Nc1cc2n[nH]c(=O)n2cn1.
What is the InChIKey of 7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is IBLKATGXEBTTOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N6O/c9-4-1-5(4)11-6-2-7-12-13-8(15)14(7)3-10-6/h2-5,11H,1,9H2,(H,13,15).
What are the key properties of 7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 206.21 g/mol, XLogP of -1.07, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2-aminocyclopropyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).