6,7-dihydro-5H-cyclopenta[d]triazine

C6H7N3 — CID 58125048

IUPAC6,7-dihydro-5H-cyclopenta[d]triazine
SMILESc1nnnc2c1CCC2
InChIInChI=1S/C6H7N3/c1-2-5-4-7-9-8-6(5)3-1/h4H,1-3H2
InChIKeyRFWGCAODLVNHFQ-UHFFFAOYSA-N
MW121.14 g/mol
LogP0.36
Rot. Bonds

About 6,7-dihydro-5H-cyclopenta[d]triazine

6,7-dihydro-5H-cyclopenta[d]triazine (PubChem CID 58125048) has the molecular formula C6H7N3 and a molecular weight of 121.14 g/mol. Its IUPAC name is 6,7-dihydro-5H-cyclopenta[d]triazine.

Molecular Properties

Compound Name6,7-dihydro-5H-cyclopenta[d]triazine
PubChem CID58125048
Molecular FormulaC6H7N3
Molecular Weight121.14 g/mol
Exact Mass121.06
IUPAC Name6,7-dihydro-5H-cyclopenta[d]triazine
SMILESc1nnnc2c1CCC2
InChIInChI=1S/C6H7N3/c1-2-5-4-7-9-8-6(5)3-1/h4H,1-3H2
InChIKeyRFWGCAODLVNHFQ-UHFFFAOYSA-N
XLogP0.36
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.14
LogP ≤ 50.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6,7,8,9-tetrahydro-5H-cyclohepta[d]pyridazine
CID 10844537
6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazine
CID 15855511
ethane;5,6,7,8-tetrahydrocinnoline
CID 167521834
3-chloro-6,7-dihydro-5H-cyclopenta[c]pyridazine
CID 24944454
3-bromo-5,6,7,8-tetrahydrocinnoline
CID 164662735
3-iodo-5,6,7,8-tetrahydrocinnoline
CID 139517133
2-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 15012906
ethane;3-methyl-5,6,7,8-tetrahydrocinnoline
CID 176717878
6,7-dihydro-5H-cyclopenta[b]pyridin-3-amine
CID 10630532
6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-ylhydrazine
CID 66490640
4-methyl-5,6,7,8,9,10-hexahydrocycloocta[d]pyridazine
CID 139297356
1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)cyclopropan-1-amine;dihydrochloride
CID 170918429

Frequently Asked Questions

What is the IUPAC name of 6,7-dihydro-5H-cyclopenta[d]triazine?
The IUPAC name of 6,7-dihydro-5H-cyclopenta[d]triazine (CID 58125048) is 6,7-dihydro-5H-cyclopenta[d]triazine.
What is the SMILES notation for 6,7-dihydro-5H-cyclopenta[d]triazine?
The canonical SMILES for 6,7-dihydro-5H-cyclopenta[d]triazine is c1nnnc2c1CCC2.
What is the InChIKey of 6,7-dihydro-5H-cyclopenta[d]triazine?
The InChIKey is RFWGCAODLVNHFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N3/c1-2-5-4-7-9-8-6(5)3-1/h4H,1-3H2.
What are the key properties of 6,7-dihydro-5H-cyclopenta[d]triazine?
6,7-dihydro-5H-cyclopenta[d]triazine has a molecular weight of 121.14 g/mol, XLogP of 0.36, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dihydro-5H-cyclopenta[d]triazine is sourced from PubChem (CID 58125048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).