3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine

C11H16N6 — CID 113243769

IUPAC3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
SMILESCc1nn(C)c(C)c1CNc1nccnc1N
InChIInChI=1S/C11H16N6/c1-7-9(8(2)17(3)16-7)6-15-11-10(12)13-4-5-14-11/h4-5H,6H2,1-3H3,(H2,12,13)(H,14,15)
InChIKeyXGHOCJBVBQYPMC-UHFFFAOYSA-N
MW232.29 g/mol
LogP1.02
Rot. Bonds3

About 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine

3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine (PubChem CID 113243769) has the molecular formula C11H16N6 and a molecular weight of 232.29 g/mol. Its IUPAC name is 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine.

Molecular Properties

Compound Name3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
PubChem CID113243769
Molecular FormulaC11H16N6
Molecular Weight232.29 g/mol
Exact Mass232.14
IUPAC Name3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine
SMILESCc1nn(C)c(C)c1CNc1nccnc1N
InChIInChI=1S/C11H16N6/c1-7-9(8(2)17(3)16-7)6-15-11-10(12)13-4-5-14-11/h4-5H,6H2,1-3H3,(H2,12,13)(H,14,15)
InChIKeyXGHOCJBVBQYPMC-UHFFFAOYSA-N
XLogP1.02
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-4-[(1,3,5-trimethylpyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136976291
6-N,5-dimethyl-4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848886
4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78966269
4-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidine-4,6-diamine
CID 80848172
2,5-dichloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-4-amine
CID 79633437
2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-3-amine
CID 79042080
4-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 78995441
3,5-difluoro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 112675968
5-chloro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrimidin-2-amine
CID 79556372
3-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoxalin-2-amine
CID 79033643
3-chloro-2-methyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-4-amine
CID 100619549
8-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]quinoline-5,8-diamine
CID 79223061

Frequently Asked Questions

What is the IUPAC name of 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine?
The IUPAC name of 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine (CID 113243769) is 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine.
What is the SMILES notation for 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine?
The canonical SMILES for 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine is Cc1nn(C)c(C)c1CNc1nccnc1N.
What is the InChIKey of 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine?
The InChIKey is XGHOCJBVBQYPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6/c1-7-9(8(2)17(3)16-7)6-15-11-10(12)13-4-5-14-11/h4-5H,6H2,1-3H3,(H2,12,13)(H,14,15).
What are the key properties of 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine?
3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine has a molecular weight of 232.29 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazine-2,3-diamine is sourced from PubChem (CID 113243769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).