N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine

C13H16N6 — CID 103127200

IUPACN-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
SMILESCCNC(c1cnn2ccncc12)c1nccn1C
InChIInChI=1S/C13H16N6/c1-3-15-12(13-16-5-6-18(13)2)10-8-17-19-7-4-14-9-11(10)19/h4-9,12,15H,3H2,1-2H3
InChIKeyBMLJWCUITNVMNX-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.16
Rot. Bonds4

About N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine

N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine (PubChem CID 103127200) has the molecular formula C13H16N6 and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
PubChem CID103127200
Molecular FormulaC13H16N6
Molecular Weight256.31 g/mol
Exact Mass256.14
IUPAC NameN-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
SMILESCCNC(c1cnn2ccncc12)c1nccn1C
InChIInChI=1S/C13H16N6/c1-3-15-12(13-16-5-6-18(13)2)10-8-17-19-7-4-14-9-11(10)19/h4-9,12,15H,3H2,1-2H3
InChIKeyBMLJWCUITNVMNX-UHFFFAOYSA-N
XLogP1.16
TPSA60.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-1-(1-methylimidazol-2-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylmethanamine
CID 103127194
N-[(3,5-difluorophenyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103126944
N-[(2-propylpyrazol-3-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine
CID 103127143
N,2-diethyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103127786
N-ethyl-3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylbutan-1-amine
CID 103125922
N-[(2-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]ethanamine
CID 61315755
N-[pyrazin-2-yl(pyrazolo[1,5-a]pyrazin-3-yl)methyl]propan-1-amine
CID 103127215
N-ethyl-4,4-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126890
N-ethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 103126621
N-ethyl-2-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 114013583
N-[(6-methyl-3-pyridinyl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]propan-1-amine
CID 103127071
N-[(1-methylimidazol-2-yl)-(4-methylthiophen-3-yl)methyl]ethanamine
CID 79808147

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine?
The IUPAC name of N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine (CID 103127200) is N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine is CCNC(c1cnn2ccncc12)c1nccn1C.
What is the InChIKey of N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine?
The InChIKey is BMLJWCUITNVMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6/c1-3-15-12(13-16-5-6-18(13)2)10-8-17-19-7-4-14-9-11(10)19/h4-9,12,15H,3H2,1-2H3.
What are the key properties of N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine?
N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine has a molecular weight of 256.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)-pyrazolo[1,5-a]pyrazin-3-ylmethyl]ethanamine is sourced from PubChem (CID 103127200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).