5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine

C19H17N5O — CID 42531849

IUPAC5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine
SMILESc1cncc(CCCNc2nncc(-c3cc4ccccc4o3)n2)c1
InChIInChI=1S/C19H17N5O/c1-2-8-17-15(7-1)11-18(25-17)16-13-22-24-19(23-16)21-10-4-6-14-5-3-9-20-12-14/h1-3,5,7-9,11-13H,4,6,10H2,(H,21,23,24)
InChIKeyVPRZYTVKVMWFSP-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.72
Rot. Bonds6

About 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine

5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine (PubChem CID 42531849) has the molecular formula C19H17N5O and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine
PubChem CID42531849
Molecular FormulaC19H17N5O
Molecular Weight331.38 g/mol
Exact Mass331.14
IUPAC Name5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine
SMILESc1cncc(CCCNc2nncc(-c3cc4ccccc4o3)n2)c1
InChIInChI=1S/C19H17N5O/c1-2-8-17-15(7-1)11-18(25-17)16-13-22-24-19(23-16)21-10-4-6-14-5-3-9-20-12-14/h1-3,5,7-9,11-13H,4,6,10H2,(H,21,23,24)
InChIKeyVPRZYTVKVMWFSP-UHFFFAOYSA-N
XLogP3.72
TPSA76.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(1-benzofuran-2-yl)-N-[2-(1-methylpyrazol-4-yl)ethyl]-1,2,4-triazin-3-amine
CID 56706668
5-(1-benzofuran-2-yl)-N-(oxan-4-ylmethyl)-1,2,4-triazin-3-amine
CID 42190596
5-(1-benzofuran-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]-1,2,4-triazin-3-amine
CID 42520239
5-(1-benzofuran-2-yl)-N-(oxolan-2-ylmethyl)-1,2,4-triazin-3-amine
CID 45185714
5-(1-benzofuran-2-yl)-3-[(3S)-3-(pyridin-3-ylmethoxy)piperidin-1-yl]-1,2,4-triazine
CID 42291886
6-phenyl-4-N-(3-phenylpropyl)-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937291
3-N-(3-phenylpropyl)-5-N-propyl-1,2,4-triazine-3,5-diamine
CID 112938364
[1-(1-benzofuran-2-yl)-3-pyridin-3-ylpropyl]hydrazine
CID 105337807
N-[[4-(1-benzofuran-2-yl)cinnolin-6-yl]methyl]pyridin-4-amine
CID 122495593
N-(2-pyridin-3-ylethyl)-1,3-benzoxazol-2-amine
CID 47184699
3-N-(3,5-dimethylphenyl)-5-N-(3-phenylpropyl)-1,2,4-triazine-3,5-diamine
CID 112958457
5,6-dimethyl-N-(2-pyridin-3-ylethyl)-1,2,4-triazin-3-amine
CID 114448192

Frequently Asked Questions

What is the IUPAC name of 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine?
The IUPAC name of 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine (CID 42531849) is 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine.
What is the SMILES notation for 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine?
The canonical SMILES for 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine is c1cncc(CCCNc2nncc(-c3cc4ccccc4o3)n2)c1.
What is the InChIKey of 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine?
The InChIKey is VPRZYTVKVMWFSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O/c1-2-8-17-15(7-1)11-18(25-17)16-13-22-24-19(23-16)21-10-4-6-14-5-3-9-20-12-14/h1-3,5,7-9,11-13H,4,6,10H2,(H,21,23,24).
What are the key properties of 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine?
5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine has a molecular weight of 331.38 g/mol, XLogP of 3.72, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-benzofuran-2-yl)-N-(3-pyridin-3-ylpropyl)-1,2,4-triazin-3-amine is sourced from PubChem (CID 42531849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).