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

C14H22N6 — CID 63764931

IUPACN'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(N(CCN)C2CCCCC2)n2ncnc2n1
InChIInChI=1S/C14H22N6/c1-11-9-13(20-14(18-11)16-10-17-20)19(8-7-15)12-5-3-2-4-6-12/h9-10,12H,2-8,15H2,1H3
InChIKeyAAZWXLCCBSVEMC-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.53
Rot. Bonds4

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

N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (PubChem CID 63764931) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
PubChem CID63764931
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine
SMILESCc1cc(N(CCN)C2CCCCC2)n2ncnc2n1
InChIInChI=1S/C14H22N6/c1-11-9-13(20-14(18-11)16-10-17-20)19(8-7-15)12-5-3-2-4-6-12/h9-10,12H,2-8,15H2,1H3
InChIKeyAAZWXLCCBSVEMC-UHFFFAOYSA-N
XLogP1.53
TPSA72.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine (CID 63764931) is N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is Cc1cc(N(CCN)C2CCCCC2)n2ncnc2n1.
What is the InChIKey of N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
The InChIKey is AAZWXLCCBSVEMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-11-9-13(20-14(18-11)16-10-17-20)19(8-7-15)12-5-3-2-4-6-12/h9-10,12H,2-8,15H2,1H3.
What are the key properties of N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine?
N'-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 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclohexyl-N'-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)ethane-1,2-diamine is sourced from PubChem (CID 63764931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).