N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

C13H19N5 — CID 171326387

IUPACN-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCc1nnc2c(NC3CCCCC3)nccn12
InChIInChI=1S/C13H19N5/c1-2-11-16-17-13-12(14-8-9-18(11)13)15-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyZVAQERYYCMCQGG-UHFFFAOYSA-N
MW245.33 g/mol
LogP2.43
Rot. Bonds3

About N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine

N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (PubChem CID 171326387) has the molecular formula C13H19N5 and a molecular weight of 245.33 g/mol. Its IUPAC name is N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.

Molecular Properties

Compound NameN-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
PubChem CID171326387
Molecular FormulaC13H19N5
Molecular Weight245.33 g/mol
Exact Mass245.16
IUPAC NameN-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine
SMILESCCc1nnc2c(NC3CCCCC3)nccn12
InChIInChI=1S/C13H19N5/c1-2-11-16-17-13-12(14-8-9-18(11)13)15-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,15)
InChIKeyZVAQERYYCMCQGG-UHFFFAOYSA-N
XLogP2.43
TPSA55.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The IUPAC name of N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine (CID 171326387) is N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine.
What is the SMILES notation for N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The canonical SMILES for N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is CCc1nnc2c(NC3CCCCC3)nccn12.
What is the InChIKey of N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
The InChIKey is ZVAQERYYCMCQGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5/c1-2-11-16-17-13-12(14-8-9-18(11)13)15-10-6-4-3-5-7-10/h8-10H,2-7H2,1H3,(H,14,15).
What are the key properties of N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine?
N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine has a molecular weight of 245.33 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-ethyl-[1,2,4]triazolo[4,3-a]pyrazin-8-amine is sourced from PubChem (CID 171326387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).