1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane

C15H22N6 — CID 56823381

IUPAC1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane
SMILESCc1cc(C)n(-c2cncc(N3CCCN(C)CC3)n2)n1
InChIInChI=1S/C15H22N6/c1-12-9-13(2)21(18-12)15-11-16-10-14(17-15)20-6-4-5-19(3)7-8-20/h9-11H,4-8H2,1-3H3
InChIKeyMRWJIQDPJOMFKC-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.42
Rot. Bonds2

About 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane

1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane (PubChem CID 56823381) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane.

Molecular Properties

Compound Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane
PubChem CID56823381
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC Name1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane
SMILESCc1cc(C)n(-c2cncc(N3CCCN(C)CC3)n2)n1
InChIInChI=1S/C15H22N6/c1-12-9-13(2)21(18-12)15-11-16-10-14(17-15)20-6-4-5-19(3)7-8-20/h9-11H,4-8H2,1-3H3
InChIKeyMRWJIQDPJOMFKC-UHFFFAOYSA-N
XLogP1.42
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane?
The IUPAC name of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane (CID 56823381) is 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane.
What is the SMILES notation for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane?
The canonical SMILES for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane is Cc1cc(C)n(-c2cncc(N3CCCN(C)CC3)n2)n1.
What is the InChIKey of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane?
The InChIKey is MRWJIQDPJOMFKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-12-9-13(2)21(18-12)15-11-16-10-14(17-15)20-6-4-5-19(3)7-8-20/h9-11H,4-8H2,1-3H3.
What are the key properties of 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane?
1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane has a molecular weight of 286.38 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3,5-dimethylpyrazol-1-yl)pyrazin-2-yl]-4-methyl-1,4-diazepane is sourced from PubChem (CID 56823381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).