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

C8H10N4O — CID 131024964

IUPACN-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCCNc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C8H10N4O/c1-2-9-8-10-7(11-12-8)6-4-3-5-13-6/h3-5H,2H2,1H3,(H2,9,10,11,12)
InChIKeyDBFSBRAKROURKY-UHFFFAOYSA-N
MW178.20 g/mol
LogP1.50
Rot. Bonds3

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

N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine (PubChem CID 131024964) has the molecular formula C8H10N4O and a molecular weight of 178.20 g/mol. Its IUPAC name is N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound NameN-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
PubChem CID131024964
Molecular FormulaC8H10N4O
Molecular Weight178.20 g/mol
Exact Mass178.09
IUPAC NameN-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
SMILESCCNc1n[nH]c(-c2ccco2)n1
InChIInChI=1S/C8H10N4O/c1-2-9-8-10-7(11-12-8)6-4-3-5-13-6/h3-5H,2H2,1H3,(H2,9,10,11,12)
InChIKeyDBFSBRAKROURKY-UHFFFAOYSA-N
XLogP1.50
TPSA66.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.20
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-cyclopropylethyl)-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine
CID 167785051
5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CID 130005940
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenylpropanamide
CID 154770904
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(4-methoxyphenyl)propanamide
CID 154770900
3-[[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]carbamoyl]-2,2-dimethylcyclopropane-1-carboxylic acid
CID 56762316
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-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-4-(2-methyl-1,3-thiazol-4-yl)-1H-pyrrole-2-carboxamide
CID 122135497
2-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]naphthalen-1-ol
CID 164601354
(3S)-N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-phenyl-3-pyrrol-1-ylpropanamide
CID 124879707
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]phenol
CID 135449034
N-[5-(furan-2-yl)-1H-1,2,4-triazol-3-yl]-3-(trifluoromethyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 154770191

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
The IUPAC name of N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine (CID 131024964) is N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
The canonical SMILES for N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine is CCNc1n[nH]c(-c2ccco2)n1.
What is the InChIKey of N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
The InChIKey is DBFSBRAKROURKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O/c1-2-9-8-10-7(11-12-8)6-4-3-5-13-6/h3-5H,2H2,1H3,(H2,9,10,11,12).
What are the key properties of N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine?
N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine has a molecular weight of 178.20 g/mol, XLogP of 1.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-(furan-2-yl)-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 131024964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).