(3-methyltriazol-4-yl)hydrazine;dihydrochloride

C3H9Cl2N5 — CID 119056891

IUPAC(3-methyltriazol-4-yl)hydrazine;dihydrochloride
SMILESCl.Cl.Cn1nncc1NN
InChIInChI=1S/C3H7N5.2ClH/c1-8-3(6-4)2-5-7-8;;/h2,6H,4H2,1H3;2*1H
InChIKeyKALIHJMEDQQBIH-UHFFFAOYSA-N
MW186.05 g/mol
LogP-0.06
Rot. Bonds1

About (3-methyltriazol-4-yl)hydrazine;dihydrochloride

(3-methyltriazol-4-yl)hydrazine;dihydrochloride (PubChem CID 119056891) has the molecular formula C3H9Cl2N5 and a molecular weight of 186.05 g/mol. Its IUPAC name is (3-methyltriazol-4-yl)hydrazine;dihydrochloride.

Molecular Properties

Compound Name(3-methyltriazol-4-yl)hydrazine;dihydrochloride
PubChem CID119056891
Molecular FormulaC3H9Cl2N5
Molecular Weight186.05 g/mol
Exact Mass185.02
IUPAC Name(3-methyltriazol-4-yl)hydrazine;dihydrochloride
SMILESCl.Cl.Cn1nncc1NN
InChIInChI=1S/C3H7N5.2ClH/c1-8-3(6-4)2-5-7-8;;/h2,6H,4H2,1H3;2*1H
InChIKeyKALIHJMEDQQBIH-UHFFFAOYSA-N
XLogP-0.06
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.05
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-methyltriazol-4-yl)hydrazine;dihydrochloride?
The IUPAC name of (3-methyltriazol-4-yl)hydrazine;dihydrochloride (CID 119056891) is (3-methyltriazol-4-yl)hydrazine;dihydrochloride.
What is the SMILES notation for (3-methyltriazol-4-yl)hydrazine;dihydrochloride?
The canonical SMILES for (3-methyltriazol-4-yl)hydrazine;dihydrochloride is Cl.Cl.Cn1nncc1NN.
What is the InChIKey of (3-methyltriazol-4-yl)hydrazine;dihydrochloride?
The InChIKey is KALIHJMEDQQBIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7N5.2ClH/c1-8-3(6-4)2-5-7-8;;/h2,6H,4H2,1H3;2*1H.
What are the key properties of (3-methyltriazol-4-yl)hydrazine;dihydrochloride?
(3-methyltriazol-4-yl)hydrazine;dihydrochloride has a molecular weight of 186.05 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyltriazol-4-yl)hydrazine;dihydrochloride is sourced from PubChem (CID 119056891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).