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

C14H12N6 — CID 704602

IUPAC(4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=N[C@H](c2cccnc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C14H12N6/c15-13-18-12(9-4-3-7-16-8-9)20-11-6-2-1-5-10(11)17-14(20)19-13/h1-8,12H,(H3,15,17,18,19)/t12-/m0/s1
InChIKeyDXKWYOCAUDEVNS-LBPRGKRZSA-N
MW264.29 g/mol
LogP1.72
Rot. Bonds1

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

(4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 704602) has the molecular formula C14H12N6 and a molecular weight of 264.29 g/mol. Its IUPAC name is (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name(4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID704602
Molecular FormulaC14H12N6
Molecular Weight264.29 g/mol
Exact Mass264.11
IUPAC Name(4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=N[C@H](c2cccnc2)n2c(nc3ccccc32)N1
InChIInChI=1S/C14H12N6/c15-13-18-12(9-4-3-7-16-8-9)20-11-6-2-1-5-10(11)17-14(20)19-13/h1-8,12H,(H3,15,17,18,19)/t12-/m0/s1
InChIKeyDXKWYOCAUDEVNS-LBPRGKRZSA-N
XLogP1.72
TPSA81.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine with MolForge

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Related Compounds

(4R)-4-(4-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 901239
(4R)-4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136744858
4-naphthalen-2-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135843390
4-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3865888
(4S)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136732415
(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136683267
(4S)-4-(2-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 941141
(4R)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136674369
(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 947229
5-(2-amino-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-3-chlorobenzene-1,2-diol
CID 135885787
7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135399887
(4R)-4-(4-propoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136911305

Frequently Asked Questions

What is the IUPAC name of (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 704602) is (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is NC1=N[C@H](c2cccnc2)n2c(nc3ccccc32)N1.
What is the InChIKey of (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is DXKWYOCAUDEVNS-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H12N6/c15-13-18-12(9-4-3-7-16-8-9)20-11-6-2-1-5-10(11)17-14(20)19-13/h1-8,12H,(H3,15,17,18,19)/t12-/m0/s1.
What are the key properties of (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
(4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 264.29 g/mol, XLogP of 1.72, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 704602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).