pent-1-ene;2H-tetrazole

C6H12N4 — CID 175470058

IUPACpent-1-ene;2H-tetrazole
SMILESC=CCCC.c1nn[nH]n1
InChIInChI=1S/C5H10.CH2N4/c1-3-5-4-2;1-2-4-5-3-1/h3H,1,4-5H2,2H3;1H,(H,2,3,4,5)
InChIKeyWBRFGOWXQBXUNP-UHFFFAOYSA-N
MW140.19 g/mol
LogP1.17
Rot. Bonds2

About pent-1-ene;2H-tetrazole

pent-1-ene;2H-tetrazole (PubChem CID 175470058) has the molecular formula C6H12N4 and a molecular weight of 140.19 g/mol. Its IUPAC name is pent-1-ene;2H-tetrazole.

Molecular Properties

Compound Namepent-1-ene;2H-tetrazole
PubChem CID175470058
Molecular FormulaC6H12N4
Molecular Weight140.19 g/mol
Exact Mass140.11
IUPAC Namepent-1-ene;2H-tetrazole
SMILESC=CCCC.c1nn[nH]n1
InChIInChI=1S/C5H10.CH2N4/c1-3-5-4-2;1-2-4-5-3-1/h3H,1,4-5H2,2H3;1H,(H,2,3,4,5)
InChIKeyWBRFGOWXQBXUNP-UHFFFAOYSA-N
XLogP1.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 172841024
CID 172841024
(111C)pent-1-ene
CID 177423582
lithium;hydride;2H-tetrazole
CID 174768353
CID 175109121
CID 175109121
(5E)-nona-1,5-diene
CID 6429608
butane;ethene;pent-1-ene
CID 177174553
ethane;pent-1-ene;propane
CID 162735255
but-1-ene;ethene;pent-1-ene
CID 140771113
ethane;ethene;2-methylprop-1-ene;pent-1-ene
CID 172567576
hexa-1,5-diene;propane;propan-1-ol
CID 145351847
decane;pent-1-ene
CID 159058331
ethane;ethene;pent-1-ene;prop-1-ene
CID 142056611

Frequently Asked Questions

What is the IUPAC name of pent-1-ene;2H-tetrazole?
The IUPAC name of pent-1-ene;2H-tetrazole (CID 175470058) is pent-1-ene;2H-tetrazole.
What is the SMILES notation for pent-1-ene;2H-tetrazole?
The canonical SMILES for pent-1-ene;2H-tetrazole is C=CCCC.c1nn[nH]n1.
What is the InChIKey of pent-1-ene;2H-tetrazole?
The InChIKey is WBRFGOWXQBXUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10.CH2N4/c1-3-5-4-2;1-2-4-5-3-1/h3H,1,4-5H2,2H3;1H,(H,2,3,4,5).
What are the key properties of pent-1-ene;2H-tetrazole?
pent-1-ene;2H-tetrazole has a molecular weight of 140.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pent-1-ene;2H-tetrazole is sourced from PubChem (CID 175470058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).