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

C13H16N6O — CID 10635904

IUPAC1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine
SMILESCC(C)(C)n1ncc(-c2n[nH]c(-c3ccco3)n2)c1N
InChIInChI=1S/C13H16N6O/c1-13(2,3)19-10(14)8(7-15-19)11-16-12(18-17-11)9-5-4-6-20-9/h4-7H,14H2,1-3H3,(H,16,17,18)
InChIKeyDMOPMYBMQYVXQV-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.27
Rot. Bonds2

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

1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine (PubChem CID 10635904) has the molecular formula C13H16N6O and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine.

Molecular Properties

Compound Name1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine
PubChem CID10635904
Molecular FormulaC13H16N6O
Molecular Weight272.31 g/mol
Exact Mass272.14
IUPAC Name1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine
SMILESCC(C)(C)n1ncc(-c2n[nH]c(-c3ccco3)n2)c1N
InChIInChI=1S/C13H16N6O/c1-13(2,3)19-10(14)8(7-15-19)11-16-12(18-17-11)9-5-4-6-20-9/h4-7H,14H2,1-3H3,(H,16,17,18)
InChIKeyDMOPMYBMQYVXQV-UHFFFAOYSA-N
XLogP2.27
TPSA98.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
CID 135449034
4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-1-(3-methylbut-2-enyl)pyrazol-3-amine
CID 10541032
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
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol
CID 164601354
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
5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CID 130005940
N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
CID 131024964
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
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione
CID 975179
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]aniline
CID 168581377
4-tert-butyl-6-(furan-2-yl)-1,3,5-triazin-2-amine
CID 63868616
3-(2,6-dimethylphenyl)-5-(furan-2-yl)triazol-4-amine
CID 82370391

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine?
The IUPAC name of 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine (CID 10635904) is 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine.
What is the SMILES notation for 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine?
The canonical SMILES for 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine is CC(C)(C)n1ncc(-c2n[nH]c(-c3ccco3)n2)c1N.
What is the InChIKey of 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine?
The InChIKey is DMOPMYBMQYVXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N6O/c1-13(2,3)19-10(14)8(7-15-19)11-16-12(18-17-11)9-5-4-6-20-9/h4-7H,14H2,1-3H3,(H,16,17,18).
What are the key properties of 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine?
1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine has a molecular weight of 272.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]pyrazol-5-amine is sourced from PubChem (CID 10635904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).