[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride

C14H18Cl2N6O — CID 120804102

IUPAC[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1.Cl
InChIInChI=1S/C14H17ClN6O.ClH/c1-14(7-16)4-5-20(8-14)13(22)11-6-10(15)2-3-12(11)21-9-17-18-19-21;/h2-3,6,9H,4-5,7-8,16H2,1H3;1H
InChIKeyVDNILGKWBRXDDJ-UHFFFAOYSA-N
MW357.25 g/mol
LogP1.55
Rot. Bonds3

About [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride (PubChem CID 120804102) has the molecular formula C14H18Cl2N6O and a molecular weight of 357.25 g/mol. Its IUPAC name is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride
PubChem CID120804102
Molecular FormulaC14H18Cl2N6O
Molecular Weight357.25 g/mol
Exact Mass356.09
IUPAC Name[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride
SMILESCC1(CN)CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1.Cl
InChIInChI=1S/C14H17ClN6O.ClH/c1-14(7-16)4-5-20(8-14)13(22)11-6-10(15)2-3-12(11)21-9-17-18-19-21;/h2-3,6,9H,4-5,7-8,16H2,1H3;1H
InChIKeyVDNILGKWBRXDDJ-UHFFFAOYSA-N
XLogP1.55
TPSA89.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.25
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[2-(tetrazol-1-yl)phenyl]methanone
CID 120804243
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-methoxy-4-(tetrazol-1-yl)phenyl]methanone
CID 120809267
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[3-(tetrazol-1-yl)phenyl]methanone
CID 120809441
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-chloro-2-propan-2-yloxyphenyl)methanone;hydrochloride
CID 120803960
1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-4-carboxamide
CID 39896622
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(difluoromethoxy)phenyl]methanone
CID 120803783
N-(2-aminoethyl)-1-[5-chloro-2-(tetrazol-1-yl)benzoyl]piperidine-3-carboxamide
CID 119479426
(2R)-4-[5-chloro-2-(tetrazol-1-yl)benzoyl]morpholine-2-carboxylic acid
CID 125118625
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(5-bromo-2-chlorophenyl)methanone;hydrochloride
CID 120808782
[4-chloro-2-(tetrazol-1-yl)phenyl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 28935033
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-(2,3-dichlorophenyl)methanone;hydrochloride
CID 120806072
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[1-(3-chlorophenyl)-5-methylpyrazol-4-yl]methanone;hydrochloride
CID 120807474

Frequently Asked Questions

What is the IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The IUPAC name of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride (CID 120804102) is [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride.
What is the SMILES notation for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The canonical SMILES for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride is CC1(CN)CCN(C(=O)c2cc(Cl)ccc2-n2cnnn2)C1.Cl.
What is the InChIKey of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
The InChIKey is VDNILGKWBRXDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O.ClH/c1-14(7-16)4-5-20(8-14)13(22)11-6-10(15)2-3-12(11)21-9-17-18-19-21;/h2-3,6,9H,4-5,7-8,16H2,1H3;1H.
What are the key properties of [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride?
[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride has a molecular weight of 357.25 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(aminomethyl)-3-methylpyrrolidin-1-yl]-[5-chloro-2-(tetrazol-1-yl)phenyl]methanone;hydrochloride is sourced from PubChem (CID 120804102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).