N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide

C12H16N6O — CID 43600862

IUPACN-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
SMILESCNCCCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H16N6O/c1-13-7-2-8-14-12(19)10-3-5-11(6-4-10)18-9-15-16-17-18/h3-6,9,13H,2,7-8H2,1H3,(H,14,19)
InChIKeyAUSSSZFAOFZDFS-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.00
Rot. Bonds6

About N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide

N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide (PubChem CID 43600862) has the molecular formula C12H16N6O and a molecular weight of 260.30 g/mol. Its IUPAC name is N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide.

Molecular Properties

Compound NameN-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
PubChem CID43600862
Molecular FormulaC12H16N6O
Molecular Weight260.30 g/mol
Exact Mass260.14
IUPAC NameN-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide
SMILESCNCCCNC(=O)c1ccc(-n2cnnn2)cc1
InChIInChI=1S/C12H16N6O/c1-13-7-2-8-14-12(19)10-3-5-11(6-4-10)18-9-15-16-17-18/h3-6,9,13H,2,7-8H2,1H3,(H,14,19)
InChIKeyAUSSSZFAOFZDFS-UHFFFAOYSA-N
XLogP0.00
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(methylamino)propyl]-2-[4-(tetrazol-1-yl)phenyl]acetamide;hydrochloride
CID 119433233
5-[[4-(tetrazol-1-yl)benzoyl]amino]pentanoic acid
CID 62033210
N-[2-(ethylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 55101010
N-[2-(2-hydroxypropylamino)ethyl]-4-(tetrazol-1-yl)benzamide
CID 104593682
4-(tetrazol-1-yl)-N-(3-thiophen-2-ylpropyl)benzamide
CID 171132793
N-(2-ethylbutyl)-4-(tetrazol-1-yl)benzamide
CID 115612743
N-(2-hydroxy-2-methylpropyl)-4-(tetrazol-1-yl)benzamide
CID 65109439
4-(tetrazol-1-yl)benzohydrazide
CID 2114009
2-hydroxy-2-methyl-3-[[4-(tetrazol-1-yl)benzoyl]amino]propanoic acid
CID 66172388
N-[2-(4-fluorophenoxy)ethyl]-4-(tetrazol-1-yl)benzamide
CID 37363321
N-(6-methylheptan-2-yl)-4-(tetrazol-1-yl)benzamide
CID 43912872
4-methyl-N-[3-(methylamino)propyl]benzamide
CID 18336628

Frequently Asked Questions

What is the IUPAC name of N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide?
The IUPAC name of N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide (CID 43600862) is N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide.
What is the SMILES notation for N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide?
The canonical SMILES for N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide is CNCCCNC(=O)c1ccc(-n2cnnn2)cc1.
What is the InChIKey of N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide?
The InChIKey is AUSSSZFAOFZDFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O/c1-13-7-2-8-14-12(19)10-3-5-11(6-4-10)18-9-15-16-17-18/h3-6,9,13H,2,7-8H2,1H3,(H,14,19).
What are the key properties of N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide?
N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide has a molecular weight of 260.30 g/mol, XLogP of 0.00, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(methylamino)propyl]-4-(tetrazol-1-yl)benzamide is sourced from PubChem (CID 43600862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).