5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride

C6H9ClN6 — CID 138017816

IUPAC5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride
SMILESCl.Cn1nccc1-c1n[nH]nc1N
InChIInChI=1S/C6H8N6.ClH/c1-12-4(2-3-8-12)5-6(7)10-11-9-5;/h2-3H,1H3,(H3,7,9,10,11);1H
InChIKeyBLDFMIMZHGLGPJ-UHFFFAOYSA-N
MW200.63 g/mol
LogP0.21
Rot. Bonds1

About 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride

5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride (PubChem CID 138017816) has the molecular formula C6H9ClN6 and a molecular weight of 200.63 g/mol. Its IUPAC name is 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride.

Molecular Properties

Compound Name5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride
PubChem CID138017816
Molecular FormulaC6H9ClN6
Molecular Weight200.63 g/mol
Exact Mass200.06
IUPAC Name5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride
SMILESCl.Cn1nccc1-c1n[nH]nc1N
InChIInChI=1S/C6H8N6.ClH/c1-12-4(2-3-8-12)5-6(7)10-11-9-5;/h2-3H,1H3,(H3,7,9,10,11);1H
InChIKeyBLDFMIMZHGLGPJ-UHFFFAOYSA-N
XLogP0.21
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride?
The IUPAC name of 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride (CID 138017816) is 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride.
What is the SMILES notation for 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride?
The canonical SMILES for 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride is Cl.Cn1nccc1-c1n[nH]nc1N.
What is the InChIKey of 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride?
The InChIKey is BLDFMIMZHGLGPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N6.ClH/c1-12-4(2-3-8-12)5-6(7)10-11-9-5;/h2-3H,1H3,(H3,7,9,10,11);1H.
What are the key properties of 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride?
5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride has a molecular weight of 200.63 g/mol, XLogP of 0.21, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrazol-3-yl)-2H-triazol-4-amine;hydrochloride is sourced from PubChem (CID 138017816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).