2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

C14H15N7 — CID 80750664

IUPAC2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)c2ccccc2)nc(-n2cccn2)n1
InChIInChI=1S/C14H15N7/c1-15-12-17-13(20(2)11-7-4-3-5-8-11)19-14(18-12)21-10-6-9-16-21/h3-10H,1-2H3,(H,15,17,18,19)
InChIKeyRHJIVFSIMRDXQH-UHFFFAOYSA-N
MW281.32 g/mol
LogP1.87
Rot. Bonds4

About 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80750664) has the molecular formula C14H15N7 and a molecular weight of 281.32 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID80750664
Molecular FormulaC14H15N7
Molecular Weight281.32 g/mol
Exact Mass281.14
IUPAC Name2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
SMILESCNc1nc(N(C)c2ccccc2)nc(-n2cccn2)n1
InChIInChI=1S/C14H15N7/c1-15-12-17-13(20(2)11-7-4-3-5-8-11)19-14(18-12)21-10-6-9-16-21/h3-10H,1-2H3,(H,15,17,18,19)
InChIKeyRHJIVFSIMRDXQH-UHFFFAOYSA-N
XLogP1.87
TPSA71.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.32
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-N,4-N-dimethyl-4-N-(2-methylpropyl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80776677
4-N-[2-(dimethylamino)ethyl]-2-N,4-N-dimethyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80846043
N,N-dimethyl-2-[methyl-[4-(methylamino)-6-pyrazol-1-yl-1,3,5-triazin-2-yl]amino]acetamide
CID 80772086
2-N,4-N-dimethyl-4-N-[(2-methylcyclopropyl)methyl]-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80838670
N-methyl-4-(1-methylpyrazol-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 103132169
4-N-cyclopentyl-4-N-ethyl-2-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80775774
N-methyl-4-(2-methylthiophen-3-yl)-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 102838375
4-N-methyl-2-N-propan-2-yl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80765899
N-methyl-4-pyrazol-1-ylquinazolin-2-amine
CID 80854215
4-hydrazinyl-N-methyl-6-pyrazol-1-yl-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 80899158
2-N-[1-(dimethylamino)propan-2-yl]-4-N-methyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 82949897
4-(3-chlorothiophen-2-yl)-N-methyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 107361056

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine (CID 80750664) is 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is CNc1nc(N(C)c2ccccc2)nc(-n2cccn2)n1.
What is the InChIKey of 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is RHJIVFSIMRDXQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N7/c1-15-12-17-13(20(2)11-7-4-3-5-8-11)19-14(18-12)21-10-6-9-16-21/h3-10H,1-2H3,(H,15,17,18,19).
What are the key properties of 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-4-N-phenyl-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80750664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).