4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C14H21ClN6 — CID 62863217

IUPAC4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC(CC)CN(CC)c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C14H21ClN6/c1-4-11(5-2)10-20(6-3)13-17-12(15)18-14(19-13)21-9-7-8-16-21/h7-9,11H,4-6,10H2,1-3H3
InChIKeyZIZGUCDIZNFDDT-UHFFFAOYSA-N
MW308.82 g/mol
LogP2.97
Rot. Bonds7

About 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 62863217) has the molecular formula C14H21ClN6 and a molecular weight of 308.82 g/mol. Its IUPAC name is 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID62863217
Molecular FormulaC14H21ClN6
Molecular Weight308.82 g/mol
Exact Mass308.15
IUPAC Name4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCCC(CC)CN(CC)c1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C14H21ClN6/c1-4-11(5-2)10-20(6-3)13-17-12(15)18-14(19-13)21-9-7-8-16-21/h7-9,11H,4-6,10H2,1-3H3
InChIKeyZIZGUCDIZNFDDT-UHFFFAOYSA-N
XLogP2.97
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.82
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 62863217) is 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CCC(CC)CN(CC)c1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ZIZGUCDIZNFDDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN6/c1-4-11(5-2)10-20(6-3)13-17-12(15)18-14(19-13)21-9-7-8-16-21/h7-9,11H,4-6,10H2,1-3H3.
What are the key properties of 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 308.82 g/mol, XLogP of 2.97, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-ethyl-N-(2-ethylbutyl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 62863217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).