2,5-dihydro-1H-pyrimido[5,4-c]carbazole

C14H11N3 — CID 87663759

IUPAC2,5-dihydro-1H-pyrimido[5,4-c]carbazole
SMILESC1=NCNC2=C1CC=C1N=c3ccccc3=C12
InChIInChI=1S/C14H11N3/c1-2-4-11-10(3-1)13-12(17-11)6-5-9-7-15-8-16-14(9)13/h1-4,6-7,16H,5,8H2
InChIKeyLTKQFCYUOFAQNP-UHFFFAOYSA-N
MW221.26 g/mol
LogP0.64
Rot. Bonds

About 2,5-dihydro-1H-pyrimido[5,4-c]carbazole

2,5-dihydro-1H-pyrimido[5,4-c]carbazole (PubChem CID 87663759) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 2,5-dihydro-1H-pyrimido[5,4-c]carbazole.

Molecular Properties

Compound Name2,5-dihydro-1H-pyrimido[5,4-c]carbazole
PubChem CID87663759
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name2,5-dihydro-1H-pyrimido[5,4-c]carbazole
SMILESC1=NCNC2=C1CC=C1N=c3ccccc3=C12
InChIInChI=1S/C14H11N3/c1-2-4-11-10(3-1)13-12(17-11)6-5-9-7-15-8-16-14(9)13/h1-4,6-7,16H,5,8H2
InChIKeyLTKQFCYUOFAQNP-UHFFFAOYSA-N
XLogP0.64
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dihydro-1H-pyrimido[5,4-c]carbazole?
The IUPAC name of 2,5-dihydro-1H-pyrimido[5,4-c]carbazole (CID 87663759) is 2,5-dihydro-1H-pyrimido[5,4-c]carbazole.
What is the SMILES notation for 2,5-dihydro-1H-pyrimido[5,4-c]carbazole?
The canonical SMILES for 2,5-dihydro-1H-pyrimido[5,4-c]carbazole is C1=NCNC2=C1CC=C1N=c3ccccc3=C12.
What is the InChIKey of 2,5-dihydro-1H-pyrimido[5,4-c]carbazole?
The InChIKey is LTKQFCYUOFAQNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c1-2-4-11-10(3-1)13-12(17-11)6-5-9-7-15-8-16-14(9)13/h1-4,6-7,16H,5,8H2.
What are the key properties of 2,5-dihydro-1H-pyrimido[5,4-c]carbazole?
2,5-dihydro-1H-pyrimido[5,4-c]carbazole has a molecular weight of 221.26 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dihydro-1H-pyrimido[5,4-c]carbazole is sourced from PubChem (CID 87663759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).