2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride

C7H13ClN4 — CID 86262246

IUPAC2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
SMILESCl.c1cnn(CC2CCCN2)n1
InChIInChI=1S/C7H12N4.ClH/c1-2-7(8-3-1)6-11-9-4-5-10-11;/h4-5,7-8H,1-3,6H2;1H
InChIKeyYELUXWOHAFOKHY-UHFFFAOYSA-N
MW188.66 g/mol
LogP0.45
Rot. Bonds2

About 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride

2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride (PubChem CID 86262246) has the molecular formula C7H13ClN4 and a molecular weight of 188.66 g/mol. Its IUPAC name is 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride.

Molecular Properties

Compound Name2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
PubChem CID86262246
Molecular FormulaC7H13ClN4
Molecular Weight188.66 g/mol
Exact Mass188.08
IUPAC Name2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride
SMILESCl.c1cnn(CC2CCCN2)n1
InChIInChI=1S/C7H12N4.ClH/c1-2-7(8-3-1)6-11-9-4-5-10-11;/h4-5,7-8H,1-3,6H2;1H
InChIKeyYELUXWOHAFOKHY-UHFFFAOYSA-N
XLogP0.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.66
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(pyrrolidin-2-ylmethyl)pyrazole
CID 25220770
1-[[(2R)-pyrrolidin-2-yl]methyl]triazole
CID 98042437
4-cyclopropyl-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 84733041
1-[[(2S)-pyrrolidin-2-yl]methyl]pyridin-4-one
CID 94889645
5-methyl-2-[[(2R)-pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 106548752
3-methyl-4-(pyrrolidin-2-ylmethyl)piperazin-2-one
CID 63596858
3-(pyrrolidin-2-ylmethyl)pyrido[3,4-d]pyridazin-4-one
CID 102548974
4-[[(2S)-pyrrolidin-2-yl]methyl]morpholine;dihydrochloride
CID 122361110
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264
8-(pyrrolidin-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 130834643
5-bromo-1-(pyrrolidin-2-ylmethyl)pyrazol-4-ol
CID 117232255
5-pyrrolidin-1-yl-2-(pyrrolidin-2-ylmethyl)pyridazin-3-one
CID 114395863

Frequently Asked Questions

What is the IUPAC name of 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride?
The IUPAC name of 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride (CID 86262246) is 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride.
What is the SMILES notation for 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride?
The canonical SMILES for 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride is Cl.c1cnn(CC2CCCN2)n1.
What is the InChIKey of 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride?
The InChIKey is YELUXWOHAFOKHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4.ClH/c1-2-7(8-3-1)6-11-9-4-5-10-11;/h4-5,7-8H,1-3,6H2;1H.
What are the key properties of 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride?
2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride has a molecular weight of 188.66 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyrrolidin-2-ylmethyl)triazole;hydrochloride is sourced from PubChem (CID 86262246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).