5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine

C8H10N4O — CID 130005940

IUPAC5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C8H10N4O/c1-12(2)8-9-7(10-11-8)6-4-3-5-13-6/h3-5H,1-2H3,(H,9,10,11)
InChIKeyYLOLYIQBIHNDPL-UHFFFAOYSA-N
MW178.19 g/mol
LogP1.13
Rot. Bonds2

About 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine

5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine (PubChem CID 130005940) has the molecular formula C8H10N4O and a molecular weight of 178.19 g/mol. Its IUPAC name is 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
PubChem CID130005940
Molecular FormulaC8H10N4O
Molecular Weight178.19 g/mol
Exact Mass178.09
IUPAC Name5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
SMILESCN(C)c1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C8H10N4O/c1-12(2)8-9-7(10-11-8)6-4-3-5-13-6/h3-5H,1-2H3,(H,9,10,11)
InChIKeyYLOLYIQBIHNDPL-UHFFFAOYSA-N
XLogP1.13
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.19
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]phenol
CID 135449034
N,N-dimethyl-5-(5-methyl-1,3-oxazol-4-yl)-1H-1,2,4-triazol-3-amine
CID 167911939
N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
CID 167785051
3-benzylsulfanyl-5-(furan-2-yl)-1H-1,2,4-triazole
CID 735682
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]isoindole-1,3-dione
CID 975179
3-(1,3-benzodioxol-5-ylmethylsulfanyl)-5-(furan-2-yl)-1H-1,2,4-triazole
CID 166205590
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
5-(furan-2-yl)-3-[[5-(furan-2-yl)-4H-pyrazol-3-yl]disulfanyl]-1H-1,2,4-triazole
CID 157377380
ethane;2-(furan-2-yl)furan
CID 161366084

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine (CID 130005940) is 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine is CN(C)c1n[nH]c(-c2ccco2)n1.
What is the InChIKey of 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The InChIKey is YLOLYIQBIHNDPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-12(2)8-9-7(10-11-8)6-4-3-5-13-6/h3-5H,1-2H3,(H,9,10,11).
What are the key properties of 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine has a molecular weight of 178.19 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 130005940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).