1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine

C4H8N6 — CID 90078468

IUPAC1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine
SMILESC#CCN(N)C1=NNNN1
InChIInChI=1S/C4H8N6/c1-2-3-10(5)4-6-8-9-7-4/h1,8-9H,3,5H2,(H,6,7)
InChIKeyORSOCHPMAHFQFP-UHFFFAOYSA-N
MW140.15 g/mol
LogP-2.32
Rot. Bonds1

About 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine

1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine (PubChem CID 90078468) has the molecular formula C4H8N6 and a molecular weight of 140.15 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine
PubChem CID90078468
Molecular FormulaC4H8N6
Molecular Weight140.15 g/mol
Exact Mass140.08
IUPAC Name1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine
SMILESC#CCN(N)C1=NNNN1
InChIInChI=1S/C4H8N6/c1-2-3-10(5)4-6-8-9-7-4/h1,8-9H,3,5H2,(H,6,7)
InChIKeyORSOCHPMAHFQFP-UHFFFAOYSA-N
XLogP-2.32
TPSA77.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.15
LogP ≤ 5-2.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine?
The IUPAC name of 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine (CID 90078468) is 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine.
What is the SMILES notation for 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine?
The canonical SMILES for 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine is C#CCN(N)C1=NNNN1.
What is the InChIKey of 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine?
The InChIKey is ORSOCHPMAHFQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N6/c1-2-3-10(5)4-6-8-9-7-4/h1,8-9H,3,5H2,(H,6,7).
What are the key properties of 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine?
1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine has a molecular weight of 140.15 g/mol, XLogP of -2.32, 1 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-tetrazol-5-yl)-1-prop-2-ynylhydrazine is sourced from PubChem (CID 90078468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).