1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine

C12H14N8 — CID 103117533

IUPAC1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c(-c3cnn4ccncc34)n2)C1
InChIInChI=1S/C12H14N8/c13-8-1-3-19(7-8)12-16-11(17-18-12)9-5-15-20-4-2-14-6-10(9)20/h2,4-6,8H,1,3,7,13H2,(H,16,17,18)
InChIKeyWPMVFIWRNZDKIV-UHFFFAOYSA-N
MW270.30 g/mol
LogP0.05
Rot. Bonds2

About 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine

1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine (PubChem CID 103117533) has the molecular formula C12H14N8 and a molecular weight of 270.30 g/mol. Its IUPAC name is 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine.

Molecular Properties

Compound Name1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
PubChem CID103117533
Molecular FormulaC12H14N8
Molecular Weight270.30 g/mol
Exact Mass270.13
IUPAC Name1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine
SMILESNC1CCN(c2n[nH]c(-c3cnn4ccncc34)n2)C1
InChIInChI=1S/C12H14N8/c13-8-1-3-19(7-8)12-16-11(17-18-12)9-5-15-20-4-2-14-6-10(9)20/h2,4-6,8H,1,3,7,13H2,(H,16,17,18)
InChIKeyWPMVFIWRNZDKIV-UHFFFAOYSA-N
XLogP0.05
TPSA101.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-[5-(2,4-dibromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 107938625
1-[5-(4-bromophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793330
1-[5-(3,5-dimethylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793037
1-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793344
1-[5-(5-chloro-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793370
2-pyrazolo[1,5-a]pyrazin-3-yl-4,5,6,7-tetrahydro-1H-benzimidazol-4-amine
CID 103123795
1-[5-(5-bromo-2-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793125
1-[5-(2-bromo-5-methylphenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793134
1-[5-(1,2-oxazol-3-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793159
1-[5-(1-methyltriazol-4-yl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 112735580
1-[5-(2-methyl-4-nitrophenyl)-1H-1,2,4-triazol-3-yl]pyrrolidin-3-amine
CID 102793057
1-[5-(5-methyl-1,2-oxazol-4-yl)-1H-1,2,4-triazol-3-yl]piperidin-3-amine
CID 102794153

Frequently Asked Questions

What is the IUPAC name of 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine?
The IUPAC name of 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine (CID 103117533) is 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine.
What is the SMILES notation for 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine?
The canonical SMILES for 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine is NC1CCN(c2n[nH]c(-c3cnn4ccncc34)n2)C1.
What is the InChIKey of 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine?
The InChIKey is WPMVFIWRNZDKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N8/c13-8-1-3-19(7-8)12-16-11(17-18-12)9-5-15-20-4-2-14-6-10(9)20/h2,4-6,8H,1,3,7,13H2,(H,16,17,18).
What are the key properties of 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine?
1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine has a molecular weight of 270.30 g/mol, XLogP of 0.05, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-pyrazolo[1,5-a]pyrazin-3-yl-1H-1,2,4-triazol-3-yl)pyrrolidin-3-amine is sourced from PubChem (CID 103117533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).