ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole

C7H14N4 — CID 90957016

IUPACethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole
SMILESC/C=C\n1nnnc1C.CC
InChIInChI=1S/C5H8N4.C2H6/c1-3-4-9-5(2)6-7-8-9;1-2/h3-4H,1-2H3;1-2H3/b4-3-;
InChIKeyANLQYEQEFPQTCE-LNKPDPKZSA-N
MW154.22 g/mol
LogP1.50
Rot. Bonds1

About ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole

ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole (PubChem CID 90957016) has the molecular formula C7H14N4 and a molecular weight of 154.22 g/mol. Its IUPAC name is ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole.

Molecular Properties

Compound Nameethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole
PubChem CID90957016
Molecular FormulaC7H14N4
Molecular Weight154.22 g/mol
Exact Mass154.12
IUPAC Nameethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole
SMILESC/C=C\n1nnnc1C.CC
InChIInChI=1S/C5H8N4.C2H6/c1-3-4-9-5(2)6-7-8-9;1-2/h3-4H,1-2H3;1-2H3/b4-3-;
InChIKeyANLQYEQEFPQTCE-LNKPDPKZSA-N
XLogP1.50
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.22
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole?
The IUPAC name of ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole (CID 90957016) is ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole.
What is the SMILES notation for ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole?
The canonical SMILES for ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole is C/C=C\n1nnnc1C.CC.
What is the InChIKey of ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole?
The InChIKey is ANLQYEQEFPQTCE-LNKPDPKZSA-N. The full InChI is InChI=1S/C5H8N4.C2H6/c1-3-4-9-5(2)6-7-8-9;1-2/h3-4H,1-2H3;1-2H3/b4-3-;.
What are the key properties of ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole?
ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole has a molecular weight of 154.22 g/mol, XLogP of 1.50, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methyl-1-[(Z)-prop-1-enyl]tetrazole is sourced from PubChem (CID 90957016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).