N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine

C14H22N6 — CID 56893902

IUPACN-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
SMILESCc1nccn1CCN(C)Cc1cc2n(n1)CCNC2
InChIInChI=1S/C14H22N6/c1-12-16-4-5-19(12)8-7-18(2)11-13-9-14-10-15-3-6-20(14)17-13/h4-5,9,15H,3,6-8,10-11H2,1-2H3
InChIKeyVYTFDFIUPXDLFK-UHFFFAOYSA-N
MW274.37 g/mol
LogP0.62
Rot. Bonds5

About N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine

N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine (PubChem CID 56893902) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
PubChem CID56893902
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC NameN-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine
SMILESCc1nccn1CCN(C)Cc1cc2n(n1)CCNC2
InChIInChI=1S/C14H22N6/c1-12-16-4-5-19(12)8-7-18(2)11-13-9-14-10-15-3-6-20(14)17-13/h4-5,9,15H,3,6-8,10-11H2,1-2H3
InChIKeyVYTFDFIUPXDLFK-UHFFFAOYSA-N
XLogP0.62
TPSA50.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5,7-Dimethyl-2-(2-(6-(pyrrolidin-1-yl)pyrazin-2-yl)ethyl)-[1,2,4]triazolo-[1,5-a]pyrimidine
CID 72706927
5,7-Dimethylpyrazolo[1,5-a]pyrimidin-3-amine
CID 21192076
1-((imidazo(1,2-a)pyridin-2-yl)methyl)-1H-pyrazol-4-amine
CID 28373979
1-Ethyl-3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-4-amine
CID 25248659
1-methyl-3-(5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-a]pyridin-3-yl)-1H-pyrazol-4-amine
CID 25248737
1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39892988
1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39893053
1,3,5-trimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39893370
5-ethyl-1,3-dimethyl-N-(2-pyrazol-1-ylethyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39893615
5-ethyl-1,3-dimethyl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39893640
1,3-dimethyl-5-propan-2-yl-N-(3-pyrazol-1-ylpropyl)pyrazolo[4,5-d]pyrimidin-7-amine
CID 39893884
N-[(1-methylimidazol-2-yl)methyl]-4-(2-methyl-1,2,4-triazol-3-yl)pyrimidin-2-amine
CID 45190722

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine?
The IUPAC name of N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine (CID 56893902) is N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine.
What is the SMILES notation for N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine?
The canonical SMILES for N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine is Cc1nccn1CCN(C)Cc1cc2n(n1)CCNC2.
What is the InChIKey of N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine?
The InChIKey is VYTFDFIUPXDLFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-12-16-4-5-19(12)8-7-18(2)11-13-9-14-10-15-3-6-20(14)17-13/h4-5,9,15H,3,6-8,10-11H2,1-2H3.
What are the key properties of N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine?
N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine has a molecular weight of 274.37 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(2-methylimidazol-1-yl)-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazin-2-ylmethyl)ethanamine is sourced from PubChem (CID 56893902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).