2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

C14H19ClN6O — CID 119513221

IUPAC2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1nnc(-c2ccccc2)n1)NCC1CCCN1
InChIInChI=1S/C14H18N6O.ClH/c21-13(16-9-12-7-4-8-15-12)10-20-18-14(17-19-20)11-5-2-1-3-6-11;/h1-3,5-6,12,15H,4,7-10H2,(H,16,21);1H
InChIKeyCVSSZLGDMYOMDP-UHFFFAOYSA-N
MW322.80 g/mol
LogP0.63
Rot. Bonds5

About 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride

2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (PubChem CID 119513221) has the molecular formula C14H19ClN6O and a molecular weight of 322.80 g/mol. Its IUPAC name is 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
PubChem CID119513221
Molecular FormulaC14H19ClN6O
Molecular Weight322.80 g/mol
Exact Mass322.13
IUPAC Name2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride
SMILESCl.O=C(Cn1nnc(-c2ccccc2)n1)NCC1CCCN1
InChIInChI=1S/C14H18N6O.ClH/c21-13(16-9-12-7-4-8-15-12)10-20-18-14(17-19-20)11-5-2-1-3-6-11;/h1-3,5-6,12,15H,4,7-10H2,(H,16,21);1H
InChIKeyCVSSZLGDMYOMDP-UHFFFAOYSA-N
XLogP0.63
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[5-(4-methylphenyl)tetrazol-2-yl]-N-(pyrrolidin-2-ylmethyl)acetamide
CID 119513262
2-(5-phenyltetrazol-2-yl)-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119463131
2-(5-phenyltetrazol-2-yl)-N-(1,2,3,4-tetrahydronaphthalen-1-ylmethyl)acetamide
CID 51113096
N-(2-methylpiperidin-4-yl)-2-(5-phenyltetrazol-2-yl)acetamide;hydrochloride
CID 120602010
N-(dicyclopropylmethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 29466684
N-[(1-hydroxycyclohexyl)methyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 111445934
2-[5-(4-bromophenyl)tetrazol-2-yl]-N-(cyclohexylmethyl)acetamide
CID 7589262
N-[(1R)-1-cyclopropylethyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 8685045
N-[2-(aminomethyl)cyclopentyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 119603819
N-[(1R,2S,3R)-2,3-dimethylcyclohexyl]-2-(5-phenyltetrazol-2-yl)acetamide
CID 7634183
N-(2-methoxyethyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 3188669
N-(3,3-diphenylpropyl)-2-(5-phenyltetrazol-2-yl)acetamide
CID 7277981

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The IUPAC name of 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride (CID 119513221) is 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The canonical SMILES for 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is Cl.O=C(Cn1nnc(-c2ccccc2)n1)NCC1CCCN1.
What is the InChIKey of 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
The InChIKey is CVSSZLGDMYOMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O.ClH/c21-13(16-9-12-7-4-8-15-12)10-20-18-14(17-19-20)11-5-2-1-3-6-11;/h1-3,5-6,12,15H,4,7-10H2,(H,16,21);1H.
What are the key properties of 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride?
2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride has a molecular weight of 322.80 g/mol, XLogP of 0.63, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyltetrazol-2-yl)-N-(pyrrolidin-2-ylmethyl)acetamide;hydrochloride is sourced from PubChem (CID 119513221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).