2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

C12H15N7 — CID 103127579

IUPAC2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCCn1ncnc1CC(N)c1cnn2ccncc12
InChIInChI=1S/C12H15N7/c1-2-18-12(15-8-17-18)5-10(13)9-6-16-19-4-3-14-7-11(9)19/h3-4,6-8,10H,2,5,13H2,1H3
InChIKeyBIUHMRWNWVLBCB-UHFFFAOYSA-N
MW257.30 g/mol
LogP0.58
Rot. Bonds4

About 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine

2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (PubChem CID 103127579) has the molecular formula C12H15N7 and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.

Molecular Properties

Compound Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
PubChem CID103127579
Molecular FormulaC12H15N7
Molecular Weight257.30 g/mol
Exact Mass257.14
IUPAC Name2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
SMILESCCn1ncnc1CC(N)c1cnn2ccncc12
InChIInChI=1S/C12H15N7/c1-2-18-12(15-8-17-18)5-10(13)9-6-16-19-4-3-14-7-11(9)19/h3-4,6-8,10H,2,5,13H2,1H3
InChIKeyBIUHMRWNWVLBCB-UHFFFAOYSA-N
XLogP0.58
TPSA86.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanol
CID 103128980
1-pyrazolo[1,5-a]pyrazin-3-ylpropan-1-amine
CID 103125780
3-methyl-1-pyrazolo[1,5-a]pyrazin-3-ylpentan-1-amine
CID 103126804
2-(1-methylpyrazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127963
1-pyrazolo[1,5-a]pyrazin-3-yl-2-pyridin-2-ylethanamine
CID 103127478
2-(3,5-difluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103128392
2-(4-chloro-1,3-dimethylpyrazol-5-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103127505
3,5-dimethyl-1-pyrazolo[1,5-a]pyrazin-3-ylhexan-1-amine
CID 114201709
(2R)-1-(2-ethyl-1,2,4-triazol-3-yl)propan-2-amine
CID 94552952
1-(2,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001942
1-(3,5-dimethylphenyl)-2-(2-ethyl-1,2,4-triazol-3-yl)ethanamine
CID 105001811
2-(4-bromo-2-fluorophenyl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine
CID 103126754

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The IUPAC name of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine (CID 103127579) is 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine.
What is the SMILES notation for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The canonical SMILES for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is CCn1ncnc1CC(N)c1cnn2ccncc12.
What is the InChIKey of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
The InChIKey is BIUHMRWNWVLBCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N7/c1-2-18-12(15-8-17-18)5-10(13)9-6-16-19-4-3-14-7-11(9)19/h3-4,6-8,10H,2,5,13H2,1H3.
What are the key properties of 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine?
2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine has a molecular weight of 257.30 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-1,2,4-triazol-3-yl)-1-pyrazolo[1,5-a]pyrazin-3-ylethanamine is sourced from PubChem (CID 103127579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).