2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride

C12H15ClN6O — CID 119276593

IUPAC2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C12H14N6O.ClH/c13-7-11(19)14-9-3-1-2-8(6-9)12-15-16-17-18(12)10-4-5-10;/h1-3,6,10H,4-5,7,13H2,(H,14,19);1H
InChIKeyOQYLSZXEJWMWFD-UHFFFAOYSA-N
MW294.75 g/mol
LogP0.99
Rot. Bonds4

About 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride

2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride (PubChem CID 119276593) has the molecular formula C12H15ClN6O and a molecular weight of 294.75 g/mol. Its IUPAC name is 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
PubChem CID119276593
Molecular FormulaC12H15ClN6O
Molecular Weight294.75 g/mol
Exact Mass294.10
IUPAC Name2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride
SMILESCl.NCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1
InChIInChI=1S/C12H14N6O.ClH/c13-7-11(19)14-9-3-1-2-8(6-9)12-15-16-17-18(12)10-4-5-10;/h1-3,6,10H,4-5,7,13H2,(H,14,19);1H
InChIKeyOQYLSZXEJWMWFD-UHFFFAOYSA-N
XLogP0.99
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.75
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[3-(1-cyclopropyltetrazol-5-yl)anilino]-3-oxopropanoic acid
CID 62232063
3-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide;hydrochloride
CID 119949263
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 30047811
4-chloro-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]butanamide
CID 63309384
N-carbamoyl-2-[3-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 25332248
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-phenylsulfanylbutanamide
CID 24590710
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-(4-iodophenoxy)acetamide
CID 55500726
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-methylpropanamide
CID 61265856
(3R)-3-(carbamoylamino)-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-3-phenylpropanamide
CID 41263869
(2S)-2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-methylpentanamide
CID 119699673
2-[3-(1-cyclopropyltetrazol-5-yl)anilino]-N-(4-methoxyphenyl)acetamide
CID 134020154
N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-4-(4-ethoxyphenoxy)butanamide
CID 24590707

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride?
The IUPAC name of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride (CID 119276593) is 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride?
The canonical SMILES for 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride is Cl.NCC(=O)Nc1cccc(-c2nnnn2C2CC2)c1.
What is the InChIKey of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride?
The InChIKey is OQYLSZXEJWMWFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O.ClH/c13-7-11(19)14-9-3-1-2-8(6-9)12-15-16-17-18(12)10-4-5-10;/h1-3,6,10H,4-5,7,13H2,(H,14,19);1H.
What are the key properties of 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride?
2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride has a molecular weight of 294.75 g/mol, XLogP of 0.99, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]acetamide;hydrochloride is sourced from PubChem (CID 119276593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).