7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C16H15N5 — CID 135399887

IUPAC7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCc1ccc2nc3n(c2c1)C(c1ccccc1)N=C(N)N3
InChIInChI=1S/C16H15N5/c1-10-7-8-12-13(9-10)21-14(11-5-3-2-4-6-11)19-15(17)20-16(21)18-12/h2-9,14H,1H3,(H3,17,18,19,20)
InChIKeyPABYZAHRABGJBQ-UHFFFAOYSA-N
MW277.33 g/mol
LogP2.63
Rot. Bonds1

About 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 135399887) has the molecular formula C16H15N5 and a molecular weight of 277.33 g/mol. Its IUPAC name is 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID135399887
Molecular FormulaC16H15N5
Molecular Weight277.33 g/mol
Exact Mass277.13
IUPAC Name7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCc1ccc2nc3n(c2c1)C(c1ccccc1)N=C(N)N3
InChIInChI=1S/C16H15N5/c1-10-7-8-12-13(9-10)21-14(11-5-3-2-4-6-11)19-15(17)20-16(21)18-12/h2-9,14H,1H3,(H3,17,18,19,20)
InChIKeyPABYZAHRABGJBQ-UHFFFAOYSA-N
XLogP2.63
TPSA68.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(4R)-4-(3-methylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136744858
4-(4-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3865888
(4R)-4-(4-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 901239
13-(4-methylphenyl)-4,8-dioxa-12,14,16,18-tetrazatetracyclo[9.7.0.03,9.012,17]octadeca-1,3(9),10,14,17-pentaen-15-amine
CID 135799554
4-naphthalen-2-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135843390
(4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 704602
N-[3-[(4R)-2-amino-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl]phenyl]-4-methylbenzamide
CID 136806322
(4S)-4-[4-(trifluoromethyl)phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136732415
5-(2-amino-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-4-yl)-2-methoxyphenol
CID 135645514
(4R)-4-(4-propoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136911305
4-(2-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3270126
(4R)-4-[4-(trifluoromethoxy)phenyl]-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136674369

Frequently Asked Questions

What is the IUPAC name of 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 135399887) is 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is Cc1ccc2nc3n(c2c1)C(c1ccccc1)N=C(N)N3.
What is the InChIKey of 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is PABYZAHRABGJBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5/c1-10-7-8-12-13(9-10)21-14(11-5-3-2-4-6-11)19-15(17)20-16(21)18-12/h2-9,14H,1H3,(H3,17,18,19,20).
What are the key properties of 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 277.33 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-4-phenyl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 135399887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).