ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine

C9H18N4 — CID 142619172

IUPACethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC.CCN1CCCn2cnnc21
InChIInChI=1S/C7H12N4.C2H6/c1-2-10-4-3-5-11-6-8-9-7(10)11;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyKAUBDKRTDQYYSF-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.53
Rot. Bonds1

About ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine

ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine (PubChem CID 142619172) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine.

Molecular Properties

Compound Nameethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
PubChem CID142619172
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC Nameethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine
SMILESCC.CCN1CCCn2cnnc21
InChIInChI=1S/C7H12N4.C2H6/c1-2-10-4-3-5-11-6-8-9-7(10)11;1-2/h6H,2-5H2,1H3;1-2H3
InChIKeyKAUBDKRTDQYYSF-UHFFFAOYSA-N
XLogP1.53
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
The IUPAC name of ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine (CID 142619172) is ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine.
What is the SMILES notation for ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
The canonical SMILES for ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine is CC.CCN1CCCn2cnnc21.
What is the InChIKey of ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
The InChIKey is KAUBDKRTDQYYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.C2H6/c1-2-10-4-3-5-11-6-8-9-7(10)11;1-2/h6H,2-5H2,1H3;1-2H3.
What are the key properties of ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine?
ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine has a molecular weight of 182.27 g/mol, XLogP of 1.53, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;8-ethyl-6,7-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrimidine is sourced from PubChem (CID 142619172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).