(4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C18H15N5O — CID 136752412

IUPAC(4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=N[C@@H](C2=Cc3ccccc3OC2)n2c(nc3ccccc32)N1
InChIInChI=1S/C18H15N5O/c19-17-21-16(12-9-11-5-1-4-8-15(11)24-10-12)23-14-7-3-2-6-13(14)20-18(23)22-17/h1-9,16H,10H2,(H3,19,20,21,22)/t16-/m1/s1
InChIKeySKGSDASLDUVDOT-MRXNPFEDSA-N
MW317.35 g/mol
LogP2.75
Rot. Bonds1

About (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

(4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 136752412) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name(4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID136752412
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name(4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=N[C@@H](C2=Cc3ccccc3OC2)n2c(nc3ccccc32)N1
InChIInChI=1S/C18H15N5O/c19-17-21-16(12-9-11-5-1-4-8-15(11)24-10-12)23-14-7-3-2-6-13(14)20-18(23)22-17/h1-9,16H,10H2,(H3,19,20,21,22)/t16-/m1/s1
InChIKeySKGSDASLDUVDOT-MRXNPFEDSA-N
XLogP2.75
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

(4S)-4-(6-chloro-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135881884
(4R)-4-(7-methoxy-2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135911114
(4S)-4-(furan-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 947229
(4S)-4-(2-chlorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 941141
(4R)-4-(2-fluorophenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 136683267
4-naphthalen-2-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135843390
4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135549280
(4S)-4-pyridin-3-yl-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 704602
(4R)-4-(6-nitro-1,3-benzodioxol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 1251170
4-(2-pyrrolidin-1-ylphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135812562
4-(7-methoxy-1,3-benzodioxol-5-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 135680693
4-(2-methoxyphenyl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
CID 3270126

Frequently Asked Questions

What is the IUPAC name of (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 136752412) is (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is NC1=N[C@@H](C2=Cc3ccccc3OC2)n2c(nc3ccccc32)N1.
What is the InChIKey of (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is SKGSDASLDUVDOT-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H15N5O/c19-17-21-16(12-9-11-5-1-4-8-15(11)24-10-12)23-14-7-3-2-6-13(14)20-18(23)22-17/h1-9,16H,10H2,(H3,19,20,21,22)/t16-/m1/s1.
What are the key properties of (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
(4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 317.35 g/mol, XLogP of 2.75, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-(2H-chromen-3-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 136752412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).