N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide

C5H10N6O — CID 175280235

IUPACN-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESNCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C5H10N6O/c6-1-2-7-5(12)3-4-8-10-11-9-4/h1-3,6H2,(H,7,12)(H,8,9,10,11)
InChIKeyOSOCVPRYQYVRSD-UHFFFAOYSA-N
MW170.18 g/mol
LogP-2.18
Rot. Bonds4

About N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide

N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 175280235) has the molecular formula C5H10N6O and a molecular weight of 170.18 g/mol. Its IUPAC name is N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide
PubChem CID175280235
Molecular FormulaC5H10N6O
Molecular Weight170.18 g/mol
Exact Mass170.09
IUPAC NameN-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide
SMILESNCCNC(=O)Cc1nn[nH]n1
InChIInChI=1S/C5H10N6O/c6-1-2-7-5(12)3-4-8-10-11-9-4/h1-3,6H2,(H,7,12)(H,8,9,10,11)
InChIKeyOSOCVPRYQYVRSD-UHFFFAOYSA-N
XLogP-2.18
TPSA109.58 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 5-2.18
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-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
3,3,3-trifluoro-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 61852334
3,3,3-trifluoro-N-(2H-tetrazol-5-ylmethyl)propanamide
CID 61854548
4,4,4-trifluoro-N-(2H-tetrazol-5-ylmethyl)butanamide
CID 65711771
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
N-(2H-tetrazol-5-ylmethyl)acetamide
CID 5198497

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide (CID 175280235) is N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide is NCCNC(=O)Cc1nn[nH]n1.
What is the InChIKey of N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is OSOCVPRYQYVRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N6O/c6-1-2-7-5(12)3-4-8-10-11-9-4/h1-3,6H2,(H,7,12)(H,8,9,10,11).
What are the key properties of N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide?
N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 170.18 g/mol, XLogP of -2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 175280235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).