5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine

C18H18N6O — CID 25375064

IUPAC5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
SMILESCCN(CCn1cccn1)c1nncc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H18N6O/c1-2-23(10-11-24-9-5-8-20-24)18-21-15(13-19-22-18)17-12-14-6-3-4-7-16(14)25-17/h3-9,12-13H,2,10-11H2,1H3
InChIKeyYKPWYXGCZBIZQE-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.01
Rot. Bonds6

About 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine

5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine (PubChem CID 25375064) has the molecular formula C18H18N6O and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
PubChem CID25375064
Molecular FormulaC18H18N6O
Molecular Weight334.38 g/mol
Exact Mass334.15
IUPAC Name5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine
SMILESCCN(CCn1cccn1)c1nncc(-c2cc3ccccc3o2)n1
InChIInChI=1S/C18H18N6O/c1-2-23(10-11-24-9-5-8-20-24)18-21-15(13-19-22-18)17-12-14-6-3-4-7-16(14)25-17/h3-9,12-13H,2,10-11H2,1H3
InChIKeyYKPWYXGCZBIZQE-UHFFFAOYSA-N
XLogP3.01
TPSA72.87 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine with MolForge

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Related Compounds

1-{(3s)-1-[4-(1-Benzofuran-2-Yl)pyrimidin-2-Yl]piperidin-3-Yl}-3-Ethyl-1,3-Dihydro-2h-Benzimidazol-2-One
CID 25198728
3-(2-fluorophenyl)-7-(furan-2-yl)-2-((2-methyl-2H-1,2,4-triazol-3-yl)methoxy)pyrazolo[1,5-d][1,2,4]triazine
CID 18406903
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-N,N-diethyl-benzamide
CID 44403132
3-[(2S,4S)-2-ethyloxan-4-yl]-12-(1-methylimidazol-4-yl)-6-(1-methylpyrazol-4-yl)-8-oxa-3,5,13-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5,10,12-pentaen-4-one
CID 60166171
Ferene Triazine
CID 146157
4-(1-Benzofuran-2-yl)-2-(4-methylpiperazin-1-yl)-6-(1-methylpyrrol-2-yl)pyrimidine
CID 10833166
4-(Furan-2-yl)-1-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-6-amine
CID 9901099
4-(Furan-2-yl)-1-(3-phenylpropyl)pyrazolo[3,4-d]pyrimidin-6-amine
CID 9944894
2-[5-(4-Carbamimidoylphenyl)furan-2-yl]-8-methylimidazo[1,2-a]pyridine-6-carboximidamide
CID 10247814
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-benzoic acid ethyl ester
CID 11268096
3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-benzamide
CID 11336181
1-[3-(8-Amino-2-furan-2-yl-[1,2,4]triazolo[1,5-a]pyrazin-6-yl)-phenyl]-ethanone
CID 11359069

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine (CID 25375064) is 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine is CCN(CCn1cccn1)c1nncc(-c2cc3ccccc3o2)n1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine?
The InChIKey is YKPWYXGCZBIZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O/c1-2-23(10-11-24-9-5-8-20-24)18-21-15(13-19-22-18)17-12-14-6-3-4-7-16(14)25-17/h3-9,12-13H,2,10-11H2,1H3.
What are the key properties of 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine?
5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine has a molecular weight of 334.38 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-ethyl-N-(2-pyrazol-1-ylethyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 25375064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).