3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride

C5H13ClN6 — CID 13210492

IUPAC3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride
SMILESCC(C)c1nnc(NN)n1N.Cl
InChIInChI=1S/C5H12N6.ClH/c1-3(2)4-9-10-5(8-6)11(4)7;/h3H,6-7H2,1-2H3,(H,8,10);1H
InChIKeyZPEFJZNRTYNKBX-UHFFFAOYSA-N
MW192.65 g/mol
LogP-0.18
Rot. Bonds2

About 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride

3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride (PubChem CID 13210492) has the molecular formula C5H13ClN6 and a molecular weight of 192.65 g/mol. Its IUPAC name is 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride
PubChem CID13210492
Molecular FormulaC5H13ClN6
Molecular Weight192.65 g/mol
Exact Mass192.09
IUPAC Name3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride
SMILESCC(C)c1nnc(NN)n1N.Cl
InChIInChI=1S/C5H12N6.ClH/c1-3(2)4-9-10-5(8-6)11(4)7;/h3H,6-7H2,1-2H3,(H,8,10);1H
InChIKeyZPEFJZNRTYNKBX-UHFFFAOYSA-N
XLogP-0.18
TPSA94.78 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.65
LogP ≤ 5-0.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride?
The IUPAC name of 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride (CID 13210492) is 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride.
What is the SMILES notation for 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride?
The canonical SMILES for 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride is CC(C)c1nnc(NN)n1N.Cl.
What is the InChIKey of 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride?
The InChIKey is ZPEFJZNRTYNKBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6.ClH/c1-3(2)4-9-10-5(8-6)11(4)7;/h3H,6-7H2,1-2H3,(H,8,10);1H.
What are the key properties of 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride?
3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride has a molecular weight of 192.65 g/mol, XLogP of -0.18, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydrazinyl-5-propan-2-yl-1,2,4-triazol-4-amine;hydrochloride is sourced from PubChem (CID 13210492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).