4H-[1,3,5]triazino[2,1-b]quinazoline

C10H8N4 — CID 139215807

IUPAC4H-[1,3,5]triazino[2,1-b]quinazoline
SMILESC1=NCN2C=c3ccccc3=NC2=N1
InChIInChI=1S/C10H8N4/c1-2-4-9-8(3-1)5-14-7-11-6-12-10(14)13-9/h1-6H,7H2
InChIKeyFPFQRQHTRZSHDT-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.28
Rot. Bonds

About 4H-[1,3,5]triazino[2,1-b]quinazoline

4H-[1,3,5]triazino[2,1-b]quinazoline (PubChem CID 139215807) has the molecular formula C10H8N4 and a molecular weight of 184.20 g/mol. Its IUPAC name is 4H-[1,3,5]triazino[2,1-b]quinazoline.

Molecular Properties

Compound Name4H-[1,3,5]triazino[2,1-b]quinazoline
PubChem CID139215807
Molecular FormulaC10H8N4
Molecular Weight184.20 g/mol
Exact Mass184.07
IUPAC Name4H-[1,3,5]triazino[2,1-b]quinazoline
SMILESC1=NCN2C=c3ccccc3=NC2=N1
InChIInChI=1S/C10H8N4/c1-2-4-9-8(3-1)5-14-7-11-6-12-10(14)13-9/h1-6H,7H2
InChIKeyFPFQRQHTRZSHDT-UHFFFAOYSA-N
XLogP-0.28
TPSA40.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Quinazoline, 2,3-dihydro-2-imino-3-methyl-
CID 171383925
Pyrido[2,1-b]quinazoline
CID 16637595
Azepino[2,1-b]quinazoline
CID 54195578
3-Methylquinazoline
CID 68345740
Pyrimido[2,1-b]quinazoline
CID 70598125
Pyrazino[2,1-b]quinazoline
CID 129653308
Quinazolino[3,2-b][2]-benzazepine
CID 129798713
1,9,17,25-Tetrazoniaoctacyclo[15.15.1.02,7.09,33.010,15.018,23.025,33.026,31]tritriaconta-1,3,5,7,9,11,13,15,17,19,21,23,25,27,29,31-hexadecaene
CID 20756022
2H-pyrimido[2,1-b]quinazoline
CID 23336415
2,3-dimethyl-2H-quinazoline
CID 23503296
2H-quinazoline-3-carbonitrile
CID 87886653
N-(2H-quinazolin-3-ylmethylidene)hydroxylamine
CID 153517187

Frequently Asked Questions

What is the IUPAC name of 4H-[1,3,5]triazino[2,1-b]quinazoline?
The IUPAC name of 4H-[1,3,5]triazino[2,1-b]quinazoline (CID 139215807) is 4H-[1,3,5]triazino[2,1-b]quinazoline.
What is the SMILES notation for 4H-[1,3,5]triazino[2,1-b]quinazoline?
The canonical SMILES for 4H-[1,3,5]triazino[2,1-b]quinazoline is C1=NCN2C=c3ccccc3=NC2=N1.
What is the InChIKey of 4H-[1,3,5]triazino[2,1-b]quinazoline?
The InChIKey is FPFQRQHTRZSHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4/c1-2-4-9-8(3-1)5-14-7-11-6-12-10(14)13-9/h1-6H,7H2.
What are the key properties of 4H-[1,3,5]triazino[2,1-b]quinazoline?
4H-[1,3,5]triazino[2,1-b]quinazoline has a molecular weight of 184.20 g/mol, XLogP of -0.28, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4H-[1,3,5]triazino[2,1-b]quinazoline is sourced from PubChem (CID 139215807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).