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

C14H23N7 — CID 655127

IUPAC6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)C)n2)n1
InChIInChI=1S/C14H23N7/c1-8(2)15-12-17-13(16-9(3)4)19-14(18-12)21-11(6)7-10(5)20-21/h7-9H,1-6H3,(H2,15,16,17,18,19)
InChIKeyLAOJVIFEGKYZEX-UHFFFAOYSA-N
MW289.39 g/mol
LogP2.31
Rot. Bonds5

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

6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 655127) has the molecular formula C14H23N7 and a molecular weight of 289.39 g/mol. Its IUPAC name is 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID655127
Molecular FormulaC14H23N7
Molecular Weight289.39 g/mol
Exact Mass289.20
IUPAC Name6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)C)n2)n1
InChIInChI=1S/C14H23N7/c1-8(2)15-12-17-13(16-9(3)4)19-14(18-12)21-11(6)7-10(5)20-21/h7-9H,1-6H3,(H2,15,16,17,18,19)
InChIKeyLAOJVIFEGKYZEX-UHFFFAOYSA-N
XLogP2.31
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.39
LogP ≤ 52.31
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-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (CID 655127) is 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is Cc1cc(C)n(-c2nc(NC(C)C)nc(NC(C)C)n2)n1.
What is the InChIKey of 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is LAOJVIFEGKYZEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N7/c1-8(2)15-12-17-13(16-9(3)4)19-14(18-12)21-11(6)7-10(5)20-21/h7-9H,1-6H3,(H2,15,16,17,18,19).
What are the key properties of 6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(3,5-dimethylpyrazol-1-yl)-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 289.39 g/mol, XLogP of 2.31, 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-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 655127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).