5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride

C7H13ClN4O — CID 122236371

IUPAC5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride
SMILESCOC1CNC(c2ncn[nH]2)C1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-12-5-2-6(8-3-5)7-9-4-10-11-7;/h4-6,8H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyQDQDBJHFAVCMDA-UHFFFAOYSA-N
MW204.66 g/mol
LogP0.28
Rot. Bonds2

About 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride

5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride (PubChem CID 122236371) has the molecular formula C7H13ClN4O and a molecular weight of 204.66 g/mol. Its IUPAC name is 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride.

Molecular Properties

Compound Name5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride
PubChem CID122236371
Molecular FormulaC7H13ClN4O
Molecular Weight204.66 g/mol
Exact Mass204.08
IUPAC Name5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride
SMILESCOC1CNC(c2ncn[nH]2)C1.Cl
InChIInChI=1S/C7H12N4O.ClH/c1-12-5-2-6(8-3-5)7-9-4-10-11-7;/h4-6,8H,2-3H2,1H3,(H,9,10,11);1H
InChIKeyQDQDBJHFAVCMDA-UHFFFAOYSA-N
XLogP0.28
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.66
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride?
The IUPAC name of 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride (CID 122236371) is 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride.
What is the SMILES notation for 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride?
The canonical SMILES for 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride is COC1CNC(c2ncn[nH]2)C1.Cl.
What is the InChIKey of 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride?
The InChIKey is QDQDBJHFAVCMDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O.ClH/c1-12-5-2-6(8-3-5)7-9-4-10-11-7;/h4-6,8H,2-3H2,1H3,(H,9,10,11);1H.
What are the key properties of 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride?
5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride has a molecular weight of 204.66 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxypyrrolidin-2-yl)-1H-1,2,4-triazole;hydrochloride is sourced from PubChem (CID 122236371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).