(E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine

C10H13N5 — CID 178024186

IUPAC(E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine
SMILESC[C@H](N)C/C=C/c1cnc2[nH]ncc2n1
InChIInChI=1S/C10H13N5/c1-7(11)3-2-4-8-5-12-10-9(14-8)6-13-15-10/h2,4-7H,3,11H2,1H3,(H,12,13,15)/b4-2+/t7-/m0/s1
InChIKeyHQTQXSMRHOFTAG-XBBYQOBLSA-N
MW203.25 g/mol
LogP1.10
Rot. Bonds3

About (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine

(E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine (PubChem CID 178024186) has the molecular formula C10H13N5 and a molecular weight of 203.25 g/mol. Its IUPAC name is (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine.

Molecular Properties

Compound Name(E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine
PubChem CID178024186
Molecular FormulaC10H13N5
Molecular Weight203.25 g/mol
Exact Mass203.12
IUPAC Name(E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine
SMILESC[C@H](N)C/C=C/c1cnc2[nH]ncc2n1
InChIInChI=1S/C10H13N5/c1-7(11)3-2-4-8-5-12-10-9(14-8)6-13-15-10/h2,4-7H,3,11H2,1H3,(H,12,13,15)/b4-2+/t7-/m0/s1
InChIKeyHQTQXSMRHOFTAG-XBBYQOBLSA-N
XLogP1.10
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(E,2S)-5-(1H-pyrazolo[5,4-b]pyridin-5-yl)pent-4-en-2-amine;trihydrochloride
CID 178024066
1-(1H-pyrazolo[3,4-b]pyrazin-5-yl)ethanol
CID 44829120
(E)-5-(2,4-dimethoxypyrimidin-5-yl)pent-4-en-2-amine
CID 23589029
5-tert-butyl-1H-pyrazolo[3,4-b]pyrazine
CID 118012662
5-(4-aminopent-1-enyl)pyridin-2-amine
CID 67423049
1-(1,4-dihydroimidazo[4,5-d]pyrazol-5-yl)propan-2-amine
CID 136922884
S-[3-(5H-pyrrolo[2,3-b]pyrazin-2-yl)prop-2-enyl]thiohydroxylamine
CID 173067268
5-[(E,4S)-4-aminopent-1-enyl]-N-ethyl-4-methoxypyrimidin-2-amine;dihydrochloride
CID 178023964
(E)-5-(4-methoxyphenyl)pent-4-en-2-amine
CID 55254782
(E,2S)-5-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pent-4-en-2-amine
CID 178024554
(E,2S)-5-(5-ethoxy-3-pyridinyl)pent-4-en-2-amine;dihydrochloride
CID 178024565
(E)-N-methyl-5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pent-4-en-2-amine
CID 22714596

Frequently Asked Questions

What is the IUPAC name of (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine?
The IUPAC name of (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine (CID 178024186) is (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine.
What is the SMILES notation for (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine?
The canonical SMILES for (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine is C[C@H](N)C/C=C/c1cnc2[nH]ncc2n1.
What is the InChIKey of (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine?
The InChIKey is HQTQXSMRHOFTAG-XBBYQOBLSA-N. The full InChI is InChI=1S/C10H13N5/c1-7(11)3-2-4-8-5-12-10-9(14-8)6-13-15-10/h2,4-7H,3,11H2,1H3,(H,12,13,15)/b4-2+/t7-/m0/s1.
What are the key properties of (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine?
(E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine has a molecular weight of 203.25 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2S)-5-(1H-pyrazolo[3,4-b]pyrazin-5-yl)pent-4-en-2-amine is sourced from PubChem (CID 178024186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).