4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

C13H20ClN5 — CID 120909731

IUPAC4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2ccc3c(c2)nnn3C)CC1N.Cl
InChIInChI=1S/C13H19N5.ClH/c1-9-6-18(8-11(9)14)7-10-3-4-13-12(5-10)15-16-17(13)2;/h3-5,9,11H,6-8,14H2,1-2H3;1H
InChIKeyGEPNXZBBMRXAAV-UHFFFAOYSA-N
MW281.79 g/mol
LogP1.17
Rot. Bonds2

About 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride

4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 120909731) has the molecular formula C13H20ClN5 and a molecular weight of 281.79 g/mol. Its IUPAC name is 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
PubChem CID120909731
Molecular FormulaC13H20ClN5
Molecular Weight281.79 g/mol
Exact Mass281.14
IUPAC Name4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride
SMILESCC1CN(Cc2ccc3c(c2)nnn3C)CC1N.Cl
InChIInChI=1S/C13H19N5.ClH/c1-9-6-18(8-11(9)14)7-10-3-4-13-12(5-10)15-16-17(13)2;/h3-5,9,11H,6-8,14H2,1-2H3;1H
InChIKeyGEPNXZBBMRXAAV-UHFFFAOYSA-N
XLogP1.17
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(N,N-Bis(2-ethylhexyl)aminomethyl)methylbenzotriazole
CID 3036907
Benzenamine, 4,4'-(1H-benzotriazol-1-ylmethylene)bis[N,N-dimethyl-
CID 88228
5-[1-benzyl-5-[4-(dimethylamino)phenyl]triazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indazol-3-amine
CID 75297705
N,N-Bis(2-ethylhexyl)-5-methyl-1H-benzotriazole-1-methanamine
CID 11970671
(1-Methyl-1H-1,2,3-Benzotriazol-5-Yl)Methylamine
CID 2795420
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzotriazole;dihydrochloride
CID 90664725
5,6-Dimethyl-1-pyrrolidin-1-ylmethyl-1h-benzotriazole
CID 3728690
1H-Benzotriazole, 1-(2-(N-benzyl-N-(2-chloroethyl)amino)ethyl)-, hydrochloride
CID 50682
(1-methyl-1H-1,2,3-benzotriazol-5-yl)methanamine hydrochloride
CID 51341928
1,2,3-Triazolo(4,5,1-jk)(1,4)benzodiazepine, 4,5,6,7-tetrahydro-5-methyl-6-propyl-, monohydrochloride
CID 453602
1-propan-2-yl-5-(2H-tetrazol-5-yl)benzotriazole
CID 11586662
2-(1H-Benzo[D][1,2,3]triazol-1-YL)ethanamine hydrochloride
CID 12605339

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride (CID 120909731) is 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is CC1CN(Cc2ccc3c(c2)nnn3C)CC1N.Cl.
What is the InChIKey of 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is GEPNXZBBMRXAAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5.ClH/c1-9-6-18(8-11(9)14)7-10-3-4-13-12(5-10)15-16-17(13)2;/h3-5,9,11H,6-8,14H2,1-2H3;1H.
What are the key properties of 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride?
4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 281.79 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 120909731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).