5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

C10H13N5O — CID 115031297

IUPAC5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNCCc1cc(=O)n2[nH]c(C3CC3)nc2n1
InChIInChI=1S/C10H13N5O/c11-4-3-7-5-8(16)15-10(12-7)13-9(14-15)6-1-2-6/h5-6H,1-4,11H2,(H,12,13,14)
InChIKeyPNAQQLMAVIJNFL-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.20
Rot. Bonds3

About 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one

5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (PubChem CID 115031297) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
PubChem CID115031297
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
SMILESNCCc1cc(=O)n2[nH]c(C3CC3)nc2n1
InChIInChI=1S/C10H13N5O/c11-4-3-7-5-8(16)15-10(12-7)13-9(14-15)6-1-2-6/h5-6H,1-4,11H2,(H,12,13,14)
InChIKeyPNAQQLMAVIJNFL-UHFFFAOYSA-N
XLogP-0.20
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 84663130
5-(2-aminoethyl)-2-ethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115025129
5-(2-aminoethyl)-2-tert-butyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115040817
6-(aminomethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115023926
2-piperidin-4-yl-5-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 82485203
5-(3-aminopropyl)-2-cyclopentyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82271064
2-methyl-5-propyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 666943
2-cyclopropyl-6-ethyl-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114514266
2-propan-2-yl-5-(2-pyrrolidin-3-ylethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 115054511
2-cyclopropyl-6-methyl-5-phenyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114514282
2,5-diethyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 114514224
2-(2-aminoethyl)-7-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
CID 115025318

Frequently Asked Questions

What is the IUPAC name of 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one (CID 115031297) is 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is NCCc1cc(=O)n2[nH]c(C3CC3)nc2n1.
What is the InChIKey of 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
The InChIKey is PNAQQLMAVIJNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c11-4-3-7-5-8(16)15-10(12-7)13-9(14-15)6-1-2-6/h5-6H,1-4,11H2,(H,12,13,14).
What are the key properties of 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one?
5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one has a molecular weight of 219.25 g/mol, XLogP of -0.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-aminoethyl)-2-cyclopropyl-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 115031297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).