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

C12H17N5O2 — CID 66282346

IUPAC7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N(CCO)C3CCCC3)ncn12
InChIInChI=1S/C12H17N5O2/c18-6-5-16(9-3-1-2-4-9)10-7-11-14-15-12(19)17(11)8-13-10/h7-9,18H,1-6H2,(H,15,19)
InChIKeyBRGIZTUSDCPQIU-UHFFFAOYSA-N
MW263.30 g/mol
LogP0.16
Rot. Bonds4

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

7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282346) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282346
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESO=c1[nH]nc2cc(N(CCO)C3CCCC3)ncn12
InChIInChI=1S/C12H17N5O2/c18-6-5-16(9-3-1-2-4-9)10-7-11-14-15-12(19)17(11)8-13-10/h7-9,18H,1-6H2,(H,15,19)
InChIKeyBRGIZTUSDCPQIU-UHFFFAOYSA-N
XLogP0.16
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282346) is 7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is O=c1[nH]nc2cc(N(CCO)C3CCCC3)ncn12.
What is the InChIKey of 7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is BRGIZTUSDCPQIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c18-6-5-16(9-3-1-2-4-9)10-7-11-14-15-12(19)17(11)8-13-10/h7-9,18H,1-6H2,(H,15,19).
What are the key properties of 7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 263.30 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).