6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine

C12H18N8 — CID 80832241

IUPAC6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCN2CCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N8/c13-10-16-11(14-5-9-19-6-1-2-7-19)18-12(17-10)20-8-3-4-15-20/h3-4,8H,1-2,5-7,9H2,(H3,13,14,16,17,18)
InChIKeyNLCIYWOSADZKNQ-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.15
Rot. Bonds5

About 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine

6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80832241) has the molecular formula C12H18N8 and a molecular weight of 274.33 g/mol. Its IUPAC name is 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80832241
Molecular FormulaC12H18N8
Molecular Weight274.33 g/mol
Exact Mass274.17
IUPAC Name6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCN2CCCC2)nc(-n2cccn2)n1
InChIInChI=1S/C12H18N8/c13-10-16-11(14-5-9-19-6-1-2-7-19)18-12(17-10)20-8-3-4-15-20/h3-4,8H,1-2,5-7,9H2,(H3,13,14,16,17,18)
InChIKeyNLCIYWOSADZKNQ-UHFFFAOYSA-N
XLogP0.15
TPSA97.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
2-N-[(1-methylpyrrolidin-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106029137
2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80772450
6-pyrazol-1-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523062
2-[2-[(4-amino-6-pyrazol-1-yl-1,3,5-triazin-2-yl)amino]ethoxy]ethanol
CID 80826375
2-N-[4-(dimethylamino)butyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80816586
2-N-[2-[ethyl(methyl)amino]ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80831923
4-piperidin-1-yl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80765065
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786209
2-N-(oxan-4-ylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846232
2-N-[(5-methylfuran-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827784

Frequently Asked Questions

What is the IUPAC name of 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine (CID 80832241) is 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine is Nc1nc(NCCN2CCCC2)nc(-n2cccn2)n1.
What is the InChIKey of 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is NLCIYWOSADZKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N8/c13-10-16-11(14-5-9-19-6-1-2-7-19)18-12(17-10)20-8-3-4-15-20/h3-4,8H,1-2,5-7,9H2,(H3,13,14,16,17,18).
What are the key properties of 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine?
6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 274.33 g/mol, XLogP of 0.15, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80832241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).