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

C14H21N5O — CID 66283149

IUPAC7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC2CCCCCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C14H21N5O/c1-10-15-12(9-13-17-18-14(20)19(10)13)16-11-7-5-3-2-4-6-8-11/h9,11,16H,2-8H2,1H3,(H,18,20)
InChIKeyKCOCDCQABVHMTM-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.25
Rot. Bonds2

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

7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (PubChem CID 66283149) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.

Molecular Properties

Compound Name7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
PubChem CID66283149
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
SMILESCc1nc(NC2CCCCCCC2)cc2n[nH]c(=O)n12
InChIInChI=1S/C14H21N5O/c1-10-15-12(9-13-17-18-14(20)19(10)13)16-11-7-5-3-2-4-6-8-11/h9,11,16H,2-8H2,1H3,(H,18,20)
InChIKeyKCOCDCQABVHMTM-UHFFFAOYSA-N
XLogP2.25
TPSA75.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-7-[(2-methylcycloheptyl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281419
7-[[2-(aminomethyl)cyclohexyl]amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283574
7-[(2,4-dimethylcyclohexyl)amino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66284154
7-(1-cyclopropylethylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283546
5-methyl-7-(pyrrol-1-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 79106781
5-methyl-7-(3-methylbutylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283150
5-methyl-7-(2-methylpropylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66281790
5-methyl-7-(morpholin-4-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 83026459
7-[(3-chlorocyclopentyl)methylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 106124062
7-[1-(4-aminophenyl)ethylamino]-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66283775
5-methyl-7-[(4-methylpiperidin-4-yl)amino]-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 114697378
5-methyl-7-(4-methylpentan-2-ylamino)-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one
CID 66282766

Frequently Asked Questions

What is the IUPAC name of 7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The IUPAC name of 7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one (CID 66283149) is 7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one.
What is the SMILES notation for 7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The canonical SMILES for 7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is Cc1nc(NC2CCCCCCC2)cc2n[nH]c(=O)n12.
What is the InChIKey of 7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
The InChIKey is KCOCDCQABVHMTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-10-15-12(9-13-17-18-14(20)19(10)13)16-11-7-5-3-2-4-6-8-11/h9,11,16H,2-8H2,1H3,(H,18,20).
What are the key properties of 7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one?
7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one has a molecular weight of 275.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(cyclooctylamino)-5-methyl-2H-[1,2,4]triazolo[4,3-c]pyrimidin-3-one is sourced from PubChem (CID 66283149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).