1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

C14H22N6 — CID 115309390

IUPAC1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)C2CCCCC2)n2ncnc2n1
InChIInChI=1S/C14H22N6/c1-10-7-13(20-14(18-10)16-9-17-20)19-12(8-15)11-5-3-2-4-6-11/h7,9,11-12,19H,2-6,8,15H2,1H3
InChIKeyDSXRNDCDLNRCLD-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.75
Rot. Bonds4

About 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine

1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 115309390) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound Name1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID115309390
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(NC(CN)C2CCCCC2)n2ncnc2n1
InChIInChI=1S/C14H22N6/c1-10-7-13(20-14(18-10)16-9-17-20)19-12(8-15)11-5-3-2-4-6-11/h7,9,11-12,19H,2-6,8,15H2,1H3
InChIKeyDSXRNDCDLNRCLD-UHFFFAOYSA-N
XLogP1.75
TPSA81.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclohexyl-2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]acetic acid
CID 61015848
N-cyclobutyl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 53259071
2-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)hexane-1,2-diamine
CID 80704301
1-cyclopentyl-N-(4,6-dimethylpyrimidin-2-yl)ethane-1,2-diamine
CID 106738262
N-(1-cyclohexylpiperidin-3-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 133296233
3-cyclohexyl-3-[[5-(methoxymethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]propan-1-ol
CID 71996444
5-methyl-N-(1-pyrrolidin-1-ylpropan-2-yl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 61221327
N-(3,3-dimethylbutan-2-yl)-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115685845
N-but-3-en-2-yl-5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 115692025
5-chloro-N-(1-cyclopentylethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-amine
CID 102918874
2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]propanoic acid
CID 43517144
1-cyclohexyl-N-(4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115309530

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 115309390) is 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1cc(NC(CN)C2CCCCC2)n2ncnc2n1.
What is the InChIKey of 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is DSXRNDCDLNRCLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-10-7-13(20-14(18-10)16-9-17-20)19-12(8-15)11-5-3-2-4-6-11/h7,9,11-12,19H,2-6,8,15H2,1H3.
What are the key properties of 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine has a molecular weight of 274.37 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 115309390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).