N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

C13H20ClN7 — CID 62869545

IUPACN-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C13H20ClN7/c1-13(2,9-20(3)4)8-15-11-17-10(14)18-12(19-11)21-7-5-6-16-21/h5-7H,8-9H2,1-4H3,(H,15,17,18,19)
InChIKeyPJUTXSYYQCUEBO-UHFFFAOYSA-N
MW309.81 g/mol
LogP1.71
Rot. Bonds6

About N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine

N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (PubChem CID 62869545) has the molecular formula C13H20ClN7 and a molecular weight of 309.81 g/mol. Its IUPAC name is N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.

Molecular Properties

Compound NameN-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
PubChem CID62869545
Molecular FormulaC13H20ClN7
Molecular Weight309.81 g/mol
Exact Mass309.15
IUPAC NameN-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine
SMILESCN(C)CC(C)(C)CNc1nc(Cl)nc(-n2cccn2)n1
InChIInChI=1S/C13H20ClN7/c1-13(2,9-20(3)4)8-15-11-17-10(14)18-12(19-11)21-7-5-6-16-21/h5-7H,8-9H2,1-4H3,(H,15,17,18,19)
InChIKeyPJUTXSYYQCUEBO-UHFFFAOYSA-N
XLogP1.71
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.81
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The IUPAC name of N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine (CID 62869545) is N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine.
What is the SMILES notation for N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The canonical SMILES for N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is CN(C)CC(C)(C)CNc1nc(Cl)nc(-n2cccn2)n1.
What is the InChIKey of N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
The InChIKey is PJUTXSYYQCUEBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN7/c1-13(2,9-20(3)4)8-15-11-17-10(14)18-12(19-11)21-7-5-6-16-21/h5-7H,8-9H2,1-4H3,(H,15,17,18,19).
What are the key properties of N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine?
N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine has a molecular weight of 309.81 g/mol, XLogP of 1.71, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-N',N',2,2-tetramethylpropane-1,3-diamine is sourced from PubChem (CID 62869545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).