5-(3-naphthalen-2-ylpropyl)-2H-tetrazole

C14H14N4 — CID 90064654

IUPAC5-(3-naphthalen-2-ylpropyl)-2H-tetrazole
SMILESc1ccc2cc(CCCc3nn[nH]n3)ccc2c1
InChIInChI=1S/C14H14N4/c1-2-6-13-10-11(8-9-12(13)5-1)4-3-7-14-15-17-18-16-14/h1-2,5-6,8-10H,3-4,7H2,(H,15,16,17,18)
InChIKeyNSWBYMKXQUVXBS-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.53
Rot. Bonds4

About 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole

5-(3-naphthalen-2-ylpropyl)-2H-tetrazole (PubChem CID 90064654) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole.

Molecular Properties

Compound Name5-(3-naphthalen-2-ylpropyl)-2H-tetrazole
PubChem CID90064654
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-(3-naphthalen-2-ylpropyl)-2H-tetrazole
SMILESc1ccc2cc(CCCc3nn[nH]n3)ccc2c1
InChIInChI=1S/C14H14N4/c1-2-6-13-10-11(8-9-12(13)5-1)4-3-7-14-15-17-18-16-14/h1-2,5-6,8-10H,3-4,7H2,(H,15,16,17,18)
InChIKeyNSWBYMKXQUVXBS-UHFFFAOYSA-N
XLogP2.53
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[3-(4-chlorophenyl)propyl]-2H-tetrazole
CID 69284170
2-(11-naphthalen-2-ylundecyl)naphthalene
CID 86035863
5-[4-(4-methoxyphenyl)butyl]-2H-tetrazole
CID 23614553
2-[[3-[3-[3-[3-(2H-tetrazol-5-yl)propoxy]phenyl]propyl]phenoxy]methyl]quinoline
CID 19856226
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
2-[3-(3,4,5-trimethoxyphenyl)propyl]naphthalene
CID 44609839
5-(naphthalen-1-ylmethyl)-2H-tetrazole
CID 2988287
ethane;2-hexylnaphthalene
CID 142191207
2-(4,4,4-trifluorobutyl)naphthalene
CID 91307122
CID 57459119
CID 57459119
1-[[3-[3-(2H-tetrazol-5-yl)propoxy]phenoxy]methyl]isoquinoline
CID 20597834
2-[[3-[1-phenyl-5-(2H-tetrazol-5-yl)pentan-2-yl]phenoxy]methyl]quinoline
CID 14750528

Frequently Asked Questions

What is the IUPAC name of 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole?
The IUPAC name of 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole (CID 90064654) is 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole.
What is the SMILES notation for 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole?
The canonical SMILES for 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole is c1ccc2cc(CCCc3nn[nH]n3)ccc2c1.
What is the InChIKey of 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole?
The InChIKey is NSWBYMKXQUVXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-6-13-10-11(8-9-12(13)5-1)4-3-7-14-15-17-18-16-14/h1-2,5-6,8-10H,3-4,7H2,(H,15,16,17,18).
What are the key properties of 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole?
5-(3-naphthalen-2-ylpropyl)-2H-tetrazole has a molecular weight of 238.29 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-naphthalen-2-ylpropyl)-2H-tetrazole is sourced from PubChem (CID 90064654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).