4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

C12H17N7 — CID 80829031

IUPAC4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1(C)CCCN1c1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H17N7/c1-12(2)5-3-7-18(12)10-15-9(13)16-11(17-10)19-8-4-6-14-19/h4,6,8H,3,5,7H2,1-2H3,(H2,13,15,16,17)
InChIKeyANWOMUYEXFEVAF-UHFFFAOYSA-N
MW259.32 g/mol
LogP1.02
Rot. Bonds2

About 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine

4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (PubChem CID 80829031) has the molecular formula C12H17N7 and a molecular weight of 259.32 g/mol. Its IUPAC name is 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
PubChem CID80829031
Molecular FormulaC12H17N7
Molecular Weight259.32 g/mol
Exact Mass259.15
IUPAC Name4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
SMILESCC1(C)CCCN1c1nc(N)nc(-n2cccn2)n1
InChIInChI=1S/C12H17N7/c1-12(2)5-3-7-18(12)10-15-9(13)16-11(17-10)19-8-4-6-14-19/h4,6,8H,3,5,7H2,1-2H3,(H2,13,15,16,17)
InChIKeyANWOMUYEXFEVAF-UHFFFAOYSA-N
XLogP1.02
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.32
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]hydrazine
CID 80914010
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
4-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperazine-2,6-dione
CID 80855646
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-4-ol
CID 80764921
4-(2-methylimidazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80854151
[1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidin-2-yl]methanol
CID 80794266
4-(4-iodopyrazol-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80868896
4-(2,2-dimethylpyrrolidin-1-yl)-6-methylpyrimidin-2-amine
CID 80829127
1-(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)piperidine-4-carboxamide
CID 80729329
4-(3-methoxy-4-methylpiperidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102971465
6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80832241
4-(4-chloro-6-pyrazol-1-yl-1,3,5-triazin-2-yl)-3,3-dimethylpiperazin-2-one
CID 63607830

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine (CID 80829031) is 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is CC1(C)CCCN1c1nc(N)nc(-n2cccn2)n1.
What is the InChIKey of 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
The InChIKey is ANWOMUYEXFEVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7/c1-12(2)5-3-7-18(12)10-15-9(13)16-11(17-10)19-8-4-6-14-19/h4,6,8H,3,5,7H2,1-2H3,(H2,13,15,16,17).
What are the key properties of 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine?
4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine has a molecular weight of 259.32 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpyrrolidin-1-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80829031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).