3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine

C17H20N6 — CID 133475736

IUPAC3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
SMILESCN(C)c1nccnc1NCc1cn(C)nc1-c1ccccc1
InChIInChI=1S/C17H20N6/c1-22(2)17-16(18-9-10-19-17)20-11-14-12-23(3)21-15(14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,18,20)
InChIKeyPZCDFEVWRVNWDZ-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.56
Rot. Bonds5

About 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine

3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine (PubChem CID 133475736) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
PubChem CID133475736
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
SMILESCN(C)c1nccnc1NCc1cn(C)nc1-c1ccccc1
InChIInChI=1S/C17H20N6/c1-22(2)17-16(18-9-10-19-17)20-11-14-12-23(3)21-15(14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,18,20)
InChIKeyPZCDFEVWRVNWDZ-UHFFFAOYSA-N
XLogP2.56
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine with MolForge

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Related Compounds

1-ethyl-3-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyrazin-2-one
CID 133449127
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 133449263
6-methyl-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]quinazolin-4-amine
CID 133449161
3-N,3-N-dimethyl-2-N-[(2-pyrazol-1-ylphenyl)methyl]pyrazine-2,3-diamine
CID 134714332
3-chloro-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine
CID 133449211
5-chloro-6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridine-3-carboxamide
CID 133449160
3-bromo-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-5-nitropyridin-2-amine
CID 133449094
1-(4-methylphenyl)-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]tetrazol-5-amine
CID 133449188
6-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]pyridazine-3-carboxamide
CID 133449091
N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]-6-(trifluoromethyl)pyridin-2-amine
CID 133449167
2-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]-5-nitropyridine-3-carboxamide
CID 133449076
4-[(1-methyl-3-phenylpyrazol-4-yl)methylamino]quinoline-3-carbonitrile
CID 133449169

Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine (CID 133475736) is 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine is CN(C)c1nccnc1NCc1cn(C)nc1-c1ccccc1.
What is the InChIKey of 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine?
The InChIKey is PZCDFEVWRVNWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-22(2)17-16(18-9-10-19-17)20-11-14-12-23(3)21-15(14)13-7-5-4-6-8-13/h4-10,12H,11H2,1-3H3,(H,18,20).
What are the key properties of 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine?
3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine has a molecular weight of 308.39 g/mol, XLogP of 2.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2-N-[(1-methyl-3-phenylpyrazol-4-yl)methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 133475736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).