N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

C19H25N5O — CID 74248580

IUPACN-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESCCCN(C(=O)C1CCCCn2nnnc21)C1Cc2ccccc2C1
InChIInChI=1S/C19H25N5O/c1-2-10-23(16-12-14-7-3-4-8-15(14)13-16)19(25)17-9-5-6-11-24-18(17)20-21-22-24/h3-4,7-8,16-17H,2,5-6,9-13H2,1H3
InChIKeyPHZLYMYPKPFIPL-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.35
Rot. Bonds4

About N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide

N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (PubChem CID 74248580) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
PubChem CID74248580
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC NameN-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide
SMILESCCCN(C(=O)C1CCCCn2nnnc21)C1Cc2ccccc2C1
InChIInChI=1S/C19H25N5O/c1-2-10-23(16-12-14-7-3-4-8-15(14)13-16)19(25)17-9-5-6-11-24-18(17)20-21-22-24/h3-4,7-8,16-17H,2,5-6,9-13H2,1H3
InChIKeyPHZLYMYPKPFIPL-UHFFFAOYSA-N
XLogP2.35
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The IUPAC name of N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide (CID 74248580) is N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide.
What is the SMILES notation for N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The canonical SMILES for N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is CCCN(C(=O)C1CCCCn2nnnc21)C1Cc2ccccc2C1.
What is the InChIKey of N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
The InChIKey is PHZLYMYPKPFIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c1-2-10-23(16-12-14-7-3-4-8-15(14)13-16)19(25)17-9-5-6-11-24-18(17)20-21-22-24/h3-4,7-8,16-17H,2,5-6,9-13H2,1H3.
What are the key properties of N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide?
N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide has a molecular weight of 339.44 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydro-1H-inden-2-yl)-N-propyl-6,7,8,9-tetrahydro-5H-tetrazolo[1,5-a]azepine-9-carboxamide is sourced from PubChem (CID 74248580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).