molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole

C4H12N4 — CID 156869133

IUPACmolecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole
SMILESCC(C)N1N=NCN1.[H][H]
InChIInChI=1S/C4H10N4.H2/c1-4(2)8-6-3-5-7-8;/h4,6H,3H2,1-2H3;1H
InChIKeyYBSWGDCHVGTRJX-UHFFFAOYSA-N
MW116.17 g/mol
LogP0.79
Rot. Bonds1

About molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole

molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole (PubChem CID 156869133) has the molecular formula C4H12N4 and a molecular weight of 116.17 g/mol. Its IUPAC name is molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole.

Molecular Properties

Compound Namemolecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole
PubChem CID156869133
Molecular FormulaC4H12N4
Molecular Weight116.17 g/mol
Exact Mass116.11
IUPAC Namemolecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole
SMILESCC(C)N1N=NCN1.[H][H]
InChIInChI=1S/C4H10N4.H2/c1-4(2)8-6-3-5-7-8;/h4,6H,3H2,1-2H3;1H
InChIKeyYBSWGDCHVGTRJX-UHFFFAOYSA-N
XLogP0.79
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.17
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole?
The IUPAC name of molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole (CID 156869133) is molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole.
What is the SMILES notation for molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole?
The canonical SMILES for molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole is CC(C)N1N=NCN1.[H][H].
What is the InChIKey of molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole?
The InChIKey is YBSWGDCHVGTRJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N4.H2/c1-4(2)8-6-3-5-7-8;/h4,6H,3H2,1-2H3;1H.
What are the key properties of molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole?
molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole has a molecular weight of 116.17 g/mol, XLogP of 0.79, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;2-propan-2-yl-1,5-dihydrotetrazole is sourced from PubChem (CID 156869133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).