4-methyl-2,4-dihydrocyclohepta[d]triazole

C8H9N3 — CID 143207550

IUPAC4-methyl-2,4-dihydrocyclohepta[d]triazole
SMILESCC1C=CC=Cc2n[nH]nc21
InChIInChI=1S/C8H9N3/c1-6-4-2-3-5-7-8(6)10-11-9-7/h2-6H,1H3,(H,9,10,11)
InChIKeyLJQOLUZUMXJSJV-UHFFFAOYSA-N
MW147.18 g/mol
LogP1.49
Rot. Bonds

About 4-methyl-2,4-dihydrocyclohepta[d]triazole

4-methyl-2,4-dihydrocyclohepta[d]triazole (PubChem CID 143207550) has the molecular formula C8H9N3 and a molecular weight of 147.18 g/mol. Its IUPAC name is 4-methyl-2,4-dihydrocyclohepta[d]triazole.

Molecular Properties

Compound Name4-methyl-2,4-dihydrocyclohepta[d]triazole
PubChem CID143207550
Molecular FormulaC8H9N3
Molecular Weight147.18 g/mol
Exact Mass147.08
IUPAC Name4-methyl-2,4-dihydrocyclohepta[d]triazole
SMILESCC1C=CC=Cc2n[nH]nc21
InChIInChI=1S/C8H9N3/c1-6-4-2-3-5-7-8(6)10-11-9-7/h2-6H,1H3,(H,9,10,11)
InChIKeyLJQOLUZUMXJSJV-UHFFFAOYSA-N
XLogP1.49
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.18
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(5S)-5-methyl-5H-cyclohepta[b]pyridine
CID 143833793
2,4-dimethyl-4H-cyclohepta[d][1,3]oxazole;ethane
CID 170595636
5-ethylidene-6-methylcyclohexa-1,3-diene
CID 123649762
(4Z,8Z)-2H-triazolo[4,5-d]azocine
CID 145314954
4-(6-methylidenecyclohexa-2,4-dien-1-yl)-5-phenyl-2H-triazole
CID 141147494
3-methylcyclohepta-1,4,6-trien-1-ol
CID 18714791
5-diazo-6-methylcyclohexa-1,3-diene;pentan-3-one
CID 174721318
2,3-dimethyl-3,3a-dihydroindazole
CID 167182553
9aH-benzo[7]annulen-5-ylmethanamine
CID 88809253
(E,4Z)-4-(6-methylcyclohexa-2,4-dien-1-ylidene)pent-2-en-3-amine
CID 167045938
9-methyl-8a,9a-dihydrocarbazole
CID 121338970
(5Z,7Z)-4,9-dimethyl-4,9-dihydrocycloocta[b]furan
CID 143306183

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2,4-dihydrocyclohepta[d]triazole?
The IUPAC name of 4-methyl-2,4-dihydrocyclohepta[d]triazole (CID 143207550) is 4-methyl-2,4-dihydrocyclohepta[d]triazole.
What is the SMILES notation for 4-methyl-2,4-dihydrocyclohepta[d]triazole?
The canonical SMILES for 4-methyl-2,4-dihydrocyclohepta[d]triazole is CC1C=CC=Cc2n[nH]nc21.
What is the InChIKey of 4-methyl-2,4-dihydrocyclohepta[d]triazole?
The InChIKey is LJQOLUZUMXJSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N3/c1-6-4-2-3-5-7-8(6)10-11-9-7/h2-6H,1H3,(H,9,10,11).
What are the key properties of 4-methyl-2,4-dihydrocyclohepta[d]triazole?
4-methyl-2,4-dihydrocyclohepta[d]triazole has a molecular weight of 147.18 g/mol, XLogP of 1.49, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2,4-dihydrocyclohepta[d]triazole is sourced from PubChem (CID 143207550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).