3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide

C7H14N6O — CID 163449006

IUPAC3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1nn[nH]n1
InChIInChI=1S/C7H14N6O/c1-8-4-3-7(14)9-5-2-6-10-12-13-11-6/h8H,2-5H2,1H3,(H,9,14)(H,10,11,12,13)
InChIKeyBEZOIWMGJLCUHD-UHFFFAOYSA-N
MW198.23 g/mol
LogP-1.53
Rot. Bonds6

About 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide

3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide (PubChem CID 163449006) has the molecular formula C7H14N6O and a molecular weight of 198.23 g/mol. Its IUPAC name is 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
PubChem CID163449006
Molecular FormulaC7H14N6O
Molecular Weight198.23 g/mol
Exact Mass198.12
IUPAC Name3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
SMILESCNCCC(=O)NCCc1nn[nH]n1
InChIInChI=1S/C7H14N6O/c1-8-4-3-7(14)9-5-2-6-10-12-13-11-6/h8H,2-5H2,1H3,(H,9,14)(H,10,11,12,13)
InChIKeyBEZOIWMGJLCUHD-UHFFFAOYSA-N
XLogP-1.53
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.23
LogP ≤ 5-1.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
N-hexyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496415
1-piperazin-1-yl-2-(2H-tetrazol-5-yl)ethanone;hydrochloride
CID 178300904
N-octyl-2-(2H-tetrazol-5-yl)acetamide
CID 178302110
N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide
CID 18618243
N-butyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496410
N-prop-2-enyl-2-(2H-tetrazol-5-yl)acetamide
CID 110496418
N-Cyclohexyl-2-(1H-tetrazol-5-yl)acetamide
CID 110496420
N-dodecyl-2-(2H-tetrazol-5-yl)acetamide
CID 134846699
3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 61852334
2-fluoro-2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 130562017
2,2-difluoro-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide
CID 166179016

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide (CID 163449006) is 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide is CNCCC(=O)NCCc1nn[nH]n1.
What is the InChIKey of 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
The InChIKey is BEZOIWMGJLCUHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O/c1-8-4-3-7(14)9-5-2-6-10-12-13-11-6/h8H,2-5H2,1H3,(H,9,14)(H,10,11,12,13).
What are the key properties of 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide?
3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide has a molecular weight of 198.23 g/mol, XLogP of -1.53, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-N-[2-(2H-tetrazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 163449006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).