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

C12H16N4O — CID 123865194

IUPAC5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
SMILESC=C(CCc1ccoc1)c1nc(N(C)C)n[nH]1
InChIInChI=1S/C12H16N4O/c1-9(4-5-10-6-7-17-8-10)11-13-12(15-14-11)16(2)3/h6-8H,1,4-5H2,2-3H3,(H,13,14,15)
InChIKeyKFLUDDLZCONWLV-UHFFFAOYSA-N
MW232.29 g/mol
LogP2.11
Rot. Bonds5

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

5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine (PubChem CID 123865194) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine.

Molecular Properties

Compound Name5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
PubChem CID123865194
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine
SMILESC=C(CCc1ccoc1)c1nc(N(C)C)n[nH]1
InChIInChI=1S/C12H16N4O/c1-9(4-5-10-6-7-17-8-10)11-13-12(15-14-11)16(2)3/h6-8H,1,4-5H2,2-3H3,(H,13,14,15)
InChIKeyKFLUDDLZCONWLV-UHFFFAOYSA-N
XLogP2.11
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine with MolForge

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Related Compounds

N-[[(2S,4S)-1-[2-(dimethylamino)pyrimidin-4-yl]-4-fluoropyrrolidin-2-yl]methyl]-3-(furan-3-yl)propanamide
CID 128993928
6-(furan-3-yl)-2-methylhex-1-en-3-ol
CID 121218914
[2-[furan-3-ylmethyl(methyl)amino]-4-methylpyrimidin-5-yl]methanol
CID 83184280
6-(furan-3-ylmethylimino)-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine
CID 136590984
2-[[furan-3-ylmethyl(methyl)amino]methyl]prop-2-ene-1-thiol
CID 103073397
3-ethylfuran;methanol
CID 174626479
1-cyclopropyl-3-(furan-3-yl)propan-1-one
CID 64504771
1-(furan-3-ylmethyl)-3,5-dimethylpyrazole
CID 83183212
3-octylfuran
CID 12700162
3-undecylfuran
CID 13123134
5-(furan-2-yl)-N,N-dimethyl-1H-1,2,4-triazol-3-amine
CID 130005940
(5R,7S)-N-(furan-3-ylmethyl)-N,5,7-trimethyl-1,4,5,7-tetrahydropyrano[4,3-d]pyrazole-3-carboxamide
CID 146102535

Frequently Asked Questions

What is the IUPAC name of 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The IUPAC name of 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine (CID 123865194) is 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine.
What is the SMILES notation for 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The canonical SMILES for 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine is C=C(CCc1ccoc1)c1nc(N(C)C)n[nH]1.
What is the InChIKey of 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
The InChIKey is KFLUDDLZCONWLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-9(4-5-10-6-7-17-8-10)11-13-12(15-14-11)16(2)3/h6-8H,1,4-5H2,2-3H3,(H,13,14,15).
What are the key properties of 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine?
5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine has a molecular weight of 232.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(furan-3-yl)but-1-en-2-yl]-N,N-dimethyl-1H-1,2,4-triazol-3-amine is sourced from PubChem (CID 123865194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).