7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

C14H21N5O2 — CID 66282407

IUPAC7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N(CCO)C2CCCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C14H21N5O2/c1-10-15-12(9-13-16-17-14(21)19(10)13)18(7-8-20)11-5-3-2-4-6-11/h9,11,20H,2-8H2,1H3,(H,17,21)
InChIKeySPZNFTABOFCYNS-UHFFFAOYSA-N
MW291.35 g/mol
LogP0.86
Rot. Bonds4

About 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one

7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66282407) has the molecular formula C14H21N5O2 and a molecular weight of 291.35 g/mol. Its IUPAC name is 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66282407
Molecular FormulaC14H21N5O2
Molecular Weight291.35 g/mol
Exact Mass291.17
IUPAC Name7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(N(CCO)C2CCCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C14H21N5O2/c1-10-15-12(9-13-16-17-14(21)19(10)13)18(7-8-20)11-5-3-2-4-6-11/h9,11,20H,2-8H2,1H3,(H,17,21)
InChIKeySPZNFTABOFCYNS-UHFFFAOYSA-N
XLogP0.86
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

7-(cyclohexylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281395
7-[2-(hydroxymethyl)piperidin-1-yl]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281560
7-[4-(2-hydroxyethyl)piperazin-1-yl]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281628
7-(3-hydroxypiperidin-1-yl)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281629
7-[2-hydroxyethyl(methyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281632
7-[3-hydroxypropyl(propan-2-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281955
7-[2-hydroxyethyl(propyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282150
7-[butyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282151
7-[(4-hydroxycyclohexyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282182
7-[2-hydroxyethyl(pentan-3-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282344
7-[cyclohexyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282345
7-[cyclopentyl(2-hydroxyethyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282346

Frequently Asked Questions

What is the IUPAC name of 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66282407) is 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(N(CCO)C2CCCCC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is SPZNFTABOFCYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O2/c1-10-15-12(9-13-16-17-14(21)19(10)13)18(7-8-20)11-5-3-2-4-6-11/h9,11,20H,2-8H2,1H3,(H,17,21).
What are the key properties of 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 291.35 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[cyclohexyl(2-hydroxyethyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66282407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).