5-propyl-1H-1,2,4-triazole;hydrochloride

C5H10ClN3 — CID 75530988

IUPAC5-propyl-1H-1,2,4-triazole;hydrochloride
SMILESCCCc1ncn[nH]1.Cl
InChIInChI=1S/C5H9N3.ClH/c1-2-3-5-6-4-7-8-5;/h4H,2-3H2,1H3,(H,6,7,8);1H
InChIKeyIHBLZFXCRQUDJM-UHFFFAOYSA-N
MW147.61 g/mol
LogP1.18
Rot. Bonds2

About 5-propyl-1H-1,2,4-triazole;hydrochloride

5-propyl-1H-1,2,4-triazole;hydrochloride (PubChem CID 75530988) has the molecular formula C5H10ClN3 and a molecular weight of 147.61 g/mol. Its IUPAC name is 5-propyl-1H-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name5-propyl-1H-1,2,4-triazole;hydrochloride
PubChem CID75530988
Molecular FormulaC5H10ClN3
Molecular Weight147.61 g/mol
Exact Mass147.06
IUPAC Name5-propyl-1H-1,2,4-triazole;hydrochloride
SMILESCCCc1ncn[nH]1.Cl
InChIInChI=1S/C5H9N3.ClH/c1-2-3-5-6-4-7-8-5;/h4H,2-3H2,1H3,(H,6,7,8);1H
InChIKeyIHBLZFXCRQUDJM-UHFFFAOYSA-N
XLogP1.18
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.61
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-propyl-1H-1,2,4-triazole;hydrochloride?
The IUPAC name of 5-propyl-1H-1,2,4-triazole;hydrochloride (CID 75530988) is 5-propyl-1H-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 5-propyl-1H-1,2,4-triazole;hydrochloride?
The canonical SMILES for 5-propyl-1H-1,2,4-triazole;hydrochloride is CCCc1ncn[nH]1.Cl.
What is the InChIKey of 5-propyl-1H-1,2,4-triazole;hydrochloride?
The InChIKey is IHBLZFXCRQUDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3.ClH/c1-2-3-5-6-4-7-8-5;/h4H,2-3H2,1H3,(H,6,7,8);1H.
What are the key properties of 5-propyl-1H-1,2,4-triazole;hydrochloride?
5-propyl-1H-1,2,4-triazole;hydrochloride has a molecular weight of 147.61 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-1H-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 75530988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).