(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C13H11N5O — CID 947229

IUPAC(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=N[C@H](c2ccco2)n2c(nc3ccccc32)N1
InChIInChI=1S/C13H11N5O/c14-12-16-11(10-6-3-7-19-10)18-9-5-2-1-4-8(9)15-13(18)17-12/h1-7,11H,(H3,14,15,16,17)/t11-/m0/s1
InChIKeySZVHEKCVJYJHNS-NSHDSACASA-N
MW253.27 g/mol
LogP1.92
Rot. Bonds1

About (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 947229) has the molecular formula C13H11N5O and a molecular weight of 253.27 g/mol. Its IUPAC name is (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID947229
Molecular FormulaC13H11N5O
Molecular Weight253.27 g/mol
Exact Mass253.10
IUPAC Name(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=N[C@H](c2ccco2)n2c(nc3ccccc32)N1
InChIInChI=1S/C13H11N5O/c14-12-16-11(10-6-3-7-19-10)18-9-5-2-1-4-8(9)15-13(18)17-12/h1-7,11H,(H3,14,15,16,17)/t11-/m0/s1
InChIKeySZVHEKCVJYJHNS-NSHDSACASA-N
XLogP1.92
TPSA81.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.27
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 947229) is (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is NC1=N[C@H](c2ccco2)n2c(nc3ccccc32)N1.
What is the InChIKey of (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is SZVHEKCVJYJHNS-NSHDSACASA-N. The full InChI is InChI=1S/C13H11N5O/c14-12-16-11(10-6-3-7-19-10)18-9-5-2-1-4-8(9)15-13(18)17-12/h1-7,11H,(H3,14,15,16,17)/t11-/m0/s1.
What are the key properties of (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 253.27 g/mol, XLogP of 1.92, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 947229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).