5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine

C19H20N4 — CID 167767491

IUPAC5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine
SMILESCn1cc(CCN2CCc3ccccc3-c3ccccc32)nn1
InChIInChI=1S/C19H20N4/c1-22-14-16(20-21-22)11-13-23-12-10-15-6-2-3-7-17(15)18-8-4-5-9-19(18)23/h2-9,14H,10-13H2,1H3
InChIKeyZMVQQBCAXUMMTN-UHFFFAOYSA-N
MW304.40 g/mol
LogP3.09
Rot. Bonds3

About 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine

5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine (PubChem CID 167767491) has the molecular formula C19H20N4 and a molecular weight of 304.40 g/mol. Its IUPAC name is 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine.

Molecular Properties

Compound Name5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine
PubChem CID167767491
Molecular FormulaC19H20N4
Molecular Weight304.40 g/mol
Exact Mass304.17
IUPAC Name5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine
SMILESCn1cc(CCN2CCc3ccccc3-c3ccccc32)nn1
InChIInChI=1S/C19H20N4/c1-22-14-16(20-21-22)11-13-23-12-10-15-6-2-3-7-17(15)18-8-4-5-9-19(18)23/h2-9,14H,10-13H2,1H3
InChIKeyZMVQQBCAXUMMTN-UHFFFAOYSA-N
XLogP3.09
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine?
The IUPAC name of 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine (CID 167767491) is 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine.
What is the SMILES notation for 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine?
The canonical SMILES for 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine is Cn1cc(CCN2CCc3ccccc3-c3ccccc32)nn1.
What is the InChIKey of 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine?
The InChIKey is ZMVQQBCAXUMMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4/c1-22-14-16(20-21-22)11-13-23-12-10-15-6-2-3-7-17(15)18-8-4-5-9-19(18)23/h2-9,14H,10-13H2,1H3.
What are the key properties of 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine?
5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine has a molecular weight of 304.40 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(1-methyltriazol-4-yl)ethyl]-6,7-dihydrobenzo[d][1]benzazepine is sourced from PubChem (CID 167767491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).