N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride

C17H24ClN5O — CID 119567001

IUPACN-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
SMILESCc1c(CC(=O)NC2(CN)CCCC2)nnn1-c1ccccc1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-13-15(20-21-22(13)14-7-3-2-4-8-14)11-16(23)19-17(12-18)9-5-6-10-17;/h2-4,7-8H,5-6,9-12,18H2,1H3,(H,19,23);1H
InChIKeyBSNIFMFHDPDNPY-UHFFFAOYSA-N
MW349.87 g/mol
LogP1.93
Rot. Bonds5

About N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride

N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride (PubChem CID 119567001) has the molecular formula C17H24ClN5O and a molecular weight of 349.87 g/mol. Its IUPAC name is N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride.

Molecular Properties

Compound NameN-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
PubChem CID119567001
Molecular FormulaC17H24ClN5O
Molecular Weight349.87 g/mol
Exact Mass349.17
IUPAC NameN-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride
SMILESCc1c(CC(=O)NC2(CN)CCCC2)nnn1-c1ccccc1.Cl
InChIInChI=1S/C17H23N5O.ClH/c1-13-15(20-21-22(13)14-7-3-2-4-8-14)11-16(23)19-17(12-18)9-5-6-10-17;/h2-4,7-8H,5-6,9-12,18H2,1H3,(H,19,23);1H
InChIKeyBSNIFMFHDPDNPY-UHFFFAOYSA-N
XLogP1.93
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.87
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The IUPAC name of N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride (CID 119567001) is N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride.
What is the SMILES notation for N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The canonical SMILES for N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride is Cc1c(CC(=O)NC2(CN)CCCC2)nnn1-c1ccccc1.Cl.
What is the InChIKey of N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
The InChIKey is BSNIFMFHDPDNPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O.ClH/c1-13-15(20-21-22(13)14-7-3-2-4-8-14)11-16(23)19-17(12-18)9-5-6-10-17;/h2-4,7-8H,5-6,9-12,18H2,1H3,(H,19,23);1H.
What are the key properties of N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride?
N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride has a molecular weight of 349.87 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(aminomethyl)cyclopentyl]-2-(5-methyl-1-phenyltriazol-4-yl)acetamide;hydrochloride is sourced from PubChem (CID 119567001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).