2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

C11H14ClN7 — CID 62863885

IUPAC2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESCCC1CCCN1c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H14ClN7/c1-2-8-4-3-5-18(8)10-15-9(12)16-11(17-10)19-7-13-6-14-19/h6-8H,2-5H2,1H3
InChIKeyPFSGXOIXIJKGBG-UHFFFAOYSA-N
MW279.73 g/mol
LogP1.48
Rot. Bonds3

About 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine

2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (PubChem CID 62863885) has the molecular formula C11H14ClN7 and a molecular weight of 279.73 g/mol. Its IUPAC name is 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.

Molecular Properties

Compound Name2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
PubChem CID62863885
Molecular FormulaC11H14ClN7
Molecular Weight279.73 g/mol
Exact Mass279.10
IUPAC Name2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine
SMILESCCC1CCCN1c1nc(Cl)nc(-n2cncn2)n1
InChIInChI=1S/C11H14ClN7/c1-2-8-4-3-5-18(8)10-15-9(12)16-11(17-10)19-7-13-6-14-19/h6-8H,2-5H2,1H3
InChIKeyPFSGXOIXIJKGBG-UHFFFAOYSA-N
XLogP1.48
TPSA72.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.73
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The IUPAC name of 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine (CID 62863885) is 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine.
What is the SMILES notation for 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The canonical SMILES for 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is CCC1CCCN1c1nc(Cl)nc(-n2cncn2)n1.
What is the InChIKey of 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
The InChIKey is PFSGXOIXIJKGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN7/c1-2-8-4-3-5-18(8)10-15-9(12)16-11(17-10)19-7-13-6-14-19/h6-8H,2-5H2,1H3.
What are the key properties of 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine?
2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine has a molecular weight of 279.73 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-ethylpyrrolidin-1-yl)-6-(1,2,4-triazol-1-yl)-1,3,5-triazine is sourced from PubChem (CID 62863885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).