5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole

C12H20N4 — CID 130371794

IUPAC5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole
SMILESC=C(C)/C(CCc1nn[nH]n1)=C(/C)CCC
InChIInChI=1S/C12H20N4/c1-5-6-10(4)11(9(2)3)7-8-12-13-15-16-14-12/h2,5-8H2,1,3-4H3,(H,13,14,15,16)/b11-10-
InChIKeyGDUNTAUBEHQFJJ-KHPPLWFESA-N
MW220.32 g/mol
LogP2.83
Rot. Bonds6

About 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole

5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole (PubChem CID 130371794) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole
PubChem CID130371794
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole
SMILESC=C(C)/C(CCc1nn[nH]n1)=C(/C)CCC
InChIInChI=1S/C12H20N4/c1-5-6-10(4)11(9(2)3)7-8-12-13-15-16-14-12/h2,5-8H2,1,3-4H3,(H,13,14,15,16)/b11-10-
InChIKeyGDUNTAUBEHQFJJ-KHPPLWFESA-N
XLogP2.83
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

5-pentyl-2H-tetrazole
CID 139080284
N-heptyl-3-(2H-tetrazol-5-yl)propanamide
CID 67740632
5-[11-(2H-tetrazol-5-yl)undecyl]-2H-tetrazole
CID 172619754
5-(4-butoxybutyl)-2H-tetrazole
CID 90689565
5-(2-iodoethyl)-2H-tetrazole
CID 118328240
5-(6-hexoxyhexyl)-2H-tetrazole
CID 68731797
2-(2H-tetrazol-5-yl)ethylphosphonic acid
CID 58953032
ethane;1-(2H-tetrazol-5-yl)propan-2-one
CID 156809476
N-[4-oxo-4-(propylamino)butyl]-16-(2H-tetrazol-5-yl)hexadecanamide
CID 129191004
N-[2-(2H-tetrazol-5-yl)ethyl]propane-1-sulfonamide
CID 110720075
triethyl-[3-oxo-6-(2H-tetrazol-5-yl)hexyl]azanium
CID 167598954
acetylene;4-methylpyridine;propane;3-(2H-tetrazol-5-yl)propanoic acid
CID 144957779

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole?
The IUPAC name of 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole (CID 130371794) is 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole.
What is the SMILES notation for 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole?
The canonical SMILES for 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole is C=C(C)/C(CCc1nn[nH]n1)=C(/C)CCC.
What is the InChIKey of 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole?
The InChIKey is GDUNTAUBEHQFJJ-KHPPLWFESA-N. The full InChI is InChI=1S/C12H20N4/c1-5-6-10(4)11(9(2)3)7-8-12-13-15-16-14-12/h2,5-8H2,1,3-4H3,(H,13,14,15,16)/b11-10-.
What are the key properties of 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole?
5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole has a molecular weight of 220.32 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-4-methyl-3-prop-1-en-2-ylhept-3-enyl]-2H-tetrazole is sourced from PubChem (CID 130371794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).