1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride

C11H15ClN4 — CID 73012311

IUPAC1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride
SMILESCl.c1ccc2c(c1)nnn2CN1CCCC1
InChIInChI=1S/C11H14N4.ClH/c1-2-6-11-10(5-1)12-13-15(11)9-14-7-3-4-8-14;/h1-2,5-6H,3-4,7-9H2;1H
InChIKeyWAJMYDGSIMNMIE-UHFFFAOYSA-N
MW238.72 g/mol
LogP1.91
Rot. Bonds2

About 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride

1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride (PubChem CID 73012311) has the molecular formula C11H15ClN4 and a molecular weight of 238.72 g/mol. Its IUPAC name is 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride.

Molecular Properties

Compound Name1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride
PubChem CID73012311
Molecular FormulaC11H15ClN4
Molecular Weight238.72 g/mol
Exact Mass238.10
IUPAC Name1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride
SMILESCl.c1ccc2c(c1)nnn2CN1CCCC1
InChIInChI=1S/C11H14N4.ClH/c1-2-6-11-10(5-1)12-13-15(11)9-14-7-3-4-8-14;/h1-2,5-6H,3-4,7-9H2;1H
InChIKeyWAJMYDGSIMNMIE-UHFFFAOYSA-N
XLogP1.91
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.72
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzotriazol-1-ylmethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine
CID 3715084
3-(piperidin-1-ylmethyl)-1,2,3-benzotriazin-4-one
CID 694457
4-(benzotriazol-1-ylmethyl)-3,5-dihydro-2H-1,4-benzothiazepine
CID 3613481
1-(pyrrolidin-1-ylmethyl)benzotriazole-5-carboxylic acid
CID 3717787
1-(pyrrolidin-1-ylmethyl)benzotriazole-5-carbonitrile
CID 134239588
N-(benzotriazol-1-ylmethyl)-1-piperidin-1-ylmethanimine
CID 3756690
2-(benzotriazol-1-yl)-N-(2-piperidin-1-ylethyl)acetamide
CID 10379321
1-[[4-(benzotriazol-1-ylmethyl)piperazine-1,4-diium-1-yl]methyl]benzotriazole
CID 5080622
1-[6-(benzotriazol-1-yl)hexyl]benzotriazole
CID 3740271
1-(2H-pyridin-1-ylmethyl)benzotriazole
CID 53446690
1-(benzimidazol-1-ylmethyl)benzotriazole;dihydrate
CID 139207286
4-(benzotriazol-1-ylmethyl)-9-methyl-3,5-dihydro-2H-1,4-benzothiazepine
CID 3439448

Frequently Asked Questions

What is the IUPAC name of 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride?
The IUPAC name of 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride (CID 73012311) is 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride.
What is the SMILES notation for 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride?
The canonical SMILES for 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride is Cl.c1ccc2c(c1)nnn2CN1CCCC1.
What is the InChIKey of 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride?
The InChIKey is WAJMYDGSIMNMIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4.ClH/c1-2-6-11-10(5-1)12-13-15(11)9-14-7-3-4-8-14;/h1-2,5-6H,3-4,7-9H2;1H.
What are the key properties of 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride?
1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride has a molecular weight of 238.72 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyrrolidin-1-ylmethyl)benzotriazole;hydrochloride is sourced from PubChem (CID 73012311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).