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

C14H15N7 — CID 80772450

IUPAC2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2ccccc2)nc(-n2cccn2)n1
InChIInChI=1S/C14H15N7/c15-12-18-13(16-9-7-11-5-2-1-3-6-11)20-14(19-12)21-10-4-8-17-21/h1-6,8,10H,7,9H2,(H3,15,16,18,19,20)
InChIKeyRABUBLOMCGWCLT-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.29
Rot. Bonds5

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

2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80772450) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80772450
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESNc1nc(NCCc2ccccc2)nc(-n2cccn2)n1
InChIInChI=1S/C14H15N7/c15-12-18-13(16-9-7-11-5-2-1-3-6-11)20-14(19-12)21-10-4-8-17-21/h1-6,8,10H,7,9H2,(H3,15,16,18,19,20)
InChIKeyRABUBLOMCGWCLT-UHFFFAOYSA-N
XLogP1.29
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-N-[2-(5-chlorothiophen-2-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106042703
2-N-[2-(dimethylamino)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80770186
2-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 106424400
6-pyrazol-1-yl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523062
6-pyrazol-1-yl-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80832241
2-N-[(5-methylfuran-2-yl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80827784
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
6-pyrazol-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80786209
2-N-(cyclobutylmethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80784120
6-pyrazol-1-yl-2-N-(2,3,3-trimethylbutyl)-1,3,5-triazine-2,4-diamine
CID 83146536

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80772450) is 2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is Nc1nc(NCCc2ccccc2)nc(-n2cccn2)n1.
What is the InChIKey of 2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is RABUBLOMCGWCLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c15-12-18-13(16-9-7-11-5-2-1-3-6-11)20-14(19-12)21-10-4-8-17-21/h1-6,8,10H,7,9H2,(H3,15,16,18,19,20).
What are the key properties of 2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.32 g/mol, XLogP of 1.29, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-phenylethyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80772450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).