4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine

C14H16N6O — CID 10541032

IUPAC4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine
SMILESCC(C)=CCn1cc(-c2n[nH]c(-c3ccco3)n2)c(N)n1
InChIInChI=1S/C14H16N6O/c1-9(2)5-6-20-8-10(12(15)19-20)13-16-14(18-17-13)11-4-3-7-21-11/h3-5,7-8H,6H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyIYSQBBGOUFNQPP-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.48
Rot. Bonds4

About 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine

4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine (PubChem CID 10541032) has the molecular formula C14H16N6O and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine
PubChem CID10541032
Molecular FormulaC14H16N6O
Molecular Weight284.32 g/mol
Exact Mass284.14
IUPAC Name4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine
SMILESCC(C)=CCn1cc(-c2n[nH]c(-c3ccco3)n2)c(N)n1
InChIInChI=1S/C14H16N6O/c1-9(2)5-6-20-8-10(12(15)19-20)13-16-14(18-17-13)11-4-3-7-21-11/h3-5,7-8H,6H2,1-2H3,(H2,15,19)(H,16,17,18)
InChIKeyIYSQBBGOUFNQPP-UHFFFAOYSA-N
XLogP2.48
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
CID 135449034
1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine
CID 10635904
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol
CID 164601354
ethane;5-(furan-2-yl)-3-[3-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenyl]-1H-1,2,4-triazole
CID 144664757
N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
CID 131024964
5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CID 130005940
3-[2-[5-(aminodiazenyl)-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-1-yl]ethyl]-7-methyl-1,2,4,5-tetrahydro-3-benzazepine
CID 173498209
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione
CID 975179
1-[5-amino-3-(furan-2-yl)-1,2,4-triazol-1-yl]ethanone
CID 757187
6-[2-[5-(aminodiazenyl)-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-1-yl]ethyl]-7,8-dihydro-5H-1,6-naphthyridine
CID 173484287
3-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762316
3-(furan-2-yl)-5-(2-methylpropyl)-1H-1,2,4-triazole
CID 167964392

Frequently Asked Questions

What is the IUPAC name of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine?
The IUPAC name of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine (CID 10541032) is 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine.
What is the SMILES notation for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine?
The canonical SMILES for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine is CC(C)=CCn1cc(-c2n[nH]c(-c3ccco3)n2)c(N)n1.
What is the InChIKey of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine?
The InChIKey is IYSQBBGOUFNQPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O/c1-9(2)5-6-20-8-10(12(15)19-20)13-16-14(18-17-13)11-4-3-7-21-11/h3-5,7-8H,6H2,1-2H3,(H2,15,19)(H,16,17,18).
What are the key properties of 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine?
4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine has a molecular weight of 284.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine is sourced from PubChem (CID 10541032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).