4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

C12H16ClN7 — CID 80857845

IUPAC4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCCC2)nc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C12H16ClN7/c1-2-14-10-16-11(19-5-3-4-6-19)18-12(17-10)20-8-9(13)7-15-20/h7-8H,2-6H2,1H3,(H,14,16,17,18)
InChIKeyAKFFRKBBWRERNX-UHFFFAOYSA-N
MW293.76 g/mol
LogP1.74
Rot. Bonds4

About 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine

4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (PubChem CID 80857845) has the molecular formula C12H16ClN7 and a molecular weight of 293.76 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
PubChem CID80857845
Molecular FormulaC12H16ClN7
Molecular Weight293.76 g/mol
Exact Mass293.12
IUPAC Name4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
SMILESCCNc1nc(N2CCCC2)nc(-n2cc(Cl)cn2)n1
InChIInChI=1S/C12H16ClN7/c1-2-14-10-16-11(19-5-3-4-6-19)18-12(17-10)20-8-9(13)7-15-20/h7-8H,2-6H2,1H3,(H,14,16,17,18)
InChIKeyAKFFRKBBWRERNX-UHFFFAOYSA-N
XLogP1.74
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.76
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine (CID 80857845) is 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is CCNc1nc(N2CCCC2)nc(-n2cc(Cl)cn2)n1.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
The InChIKey is AKFFRKBBWRERNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN7/c1-2-14-10-16-11(19-5-3-4-6-19)18-12(17-10)20-8-9(13)7-15-20/h7-8H,2-6H2,1H3,(H,14,16,17,18).
What are the key properties of 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine?
4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine has a molecular weight of 293.76 g/mol, XLogP of 1.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-N-ethyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80857845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).