5H-pyrimido[4,5-b]indole

C10H7N3 — CID 141114367

IUPAC5H-pyrimido[4,5-b]indole
SMILESC1=CCC2=c3cncnc3=NC2=C1
InChIInChI=1S/C10H7N3/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1-2,4-6H,3H2
InChIKeyVKIBFLPBNBVTMM-UHFFFAOYSA-N
MW169.19 g/mol
LogP0.10
Rot. Bonds

About 5H-pyrimido[4,5-b]indole

5H-pyrimido[4,5-b]indole (PubChem CID 141114367) has the molecular formula C10H7N3 and a molecular weight of 169.19 g/mol. Its IUPAC name is 5H-pyrimido[4,5-b]indole.

Molecular Properties

Compound Name5H-pyrimido[4,5-b]indole
PubChem CID141114367
Molecular FormulaC10H7N3
Molecular Weight169.19 g/mol
Exact Mass169.06
IUPAC Name5H-pyrimido[4,5-b]indole
SMILESC1=CCC2=c3cncnc3=NC2=C1
InChIInChI=1S/C10H7N3/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1-2,4-6H,3H2
InChIKeyVKIBFLPBNBVTMM-UHFFFAOYSA-N
XLogP0.10
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

9H-Pyrido[4,3-b]indole
CID 15897929
Pyrrolo[2,3-c]carbazole
CID 19960015
Imidazocarbazole
CID 21887508
Imidazopyridoindole
CID 69176447
Indeno[2,1-e]pyrazolo[5,4-b]pyridine
CID 129857662
Diimidazoquinoline
CID 169502387
9h-Pyrrolo[2,3-b:4,5-b']dipyridine
CID 129845236
Imidazopyrido[2,3-b]indole
CID 129869207
2,4-dimethyl-5H-pyrimido[4,5-b]indole
CID 19067856
Imidazo[4,5-e]quinoxaline
CID 19437655
1H-indolo[2,3-b][1,6]naphthyridine
CID 21886795
Imidazo[4,5-c]carbazole
CID 21887054

Frequently Asked Questions

What is the IUPAC name of 5H-pyrimido[4,5-b]indole?
The IUPAC name of 5H-pyrimido[4,5-b]indole (CID 141114367) is 5H-pyrimido[4,5-b]indole.
What is the SMILES notation for 5H-pyrimido[4,5-b]indole?
The canonical SMILES for 5H-pyrimido[4,5-b]indole is C1=CCC2=c3cncnc3=NC2=C1.
What is the InChIKey of 5H-pyrimido[4,5-b]indole?
The InChIKey is VKIBFLPBNBVTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3/c1-2-4-9-7(3-1)8-5-11-6-12-10(8)13-9/h1-2,4-6H,3H2.
What are the key properties of 5H-pyrimido[4,5-b]indole?
5H-pyrimido[4,5-b]indole has a molecular weight of 169.19 g/mol, XLogP of 0.10, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5H-pyrimido[4,5-b]indole is sourced from PubChem (CID 141114367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).