6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

C12H19N7 — CID 785953

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C12H19N7/c1-5-13-10-15-11(14-6-2)17-12(16-10)19-9(4)7-8(3)18-19/h7H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyRVJXZWPDMROVRK-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.54
Rot. Bonds5

About 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine

6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 785953) has the molecular formula C12H19N7 and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID785953
Molecular FormulaC12H19N7
Molecular Weight261.33 g/mol
Exact Mass261.17
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(NCC)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C12H19N7/c1-5-13-10-15-11(14-6-2)17-12(16-10)19-9(4)7-8(3)18-19/h7H,5-6H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyRVJXZWPDMROVRK-UHFFFAOYSA-N
XLogP1.54
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine (CID 785953) is 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(NCC)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RVJXZWPDMROVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7/c1-5-13-10-15-11(14-6-2)17-12(16-10)19-9(4)7-8(3)18-19/h7H,5-6H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine?
6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 261.33 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 785953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).