2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide

C11H19N5O — CID 66477311

IUPAC2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1C(C)(C)C1(C)C)c1nn[nH]n1
InChIInChI=1S/C11H19N5O/c1-6(8-13-15-16-14-8)12-9(17)7-10(2,3)11(7,4)5/h6-7H,1-5H3,(H,12,17)(H,13,14,15,16)
InChIKeyDLYJJWQYJVCGKK-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.06
Rot. Bonds3

About 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide

2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide (PubChem CID 66477311) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide.

Molecular Properties

Compound Name2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
PubChem CID66477311
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
SMILESCC(NC(=O)C1C(C)(C)C1(C)C)c1nn[nH]n1
InChIInChI=1S/C11H19N5O/c1-6(8-13-15-16-14-8)12-9(17)7-10(2,3)11(7,4)5/h6-7H,1-5H3,(H,12,17)(H,13,14,15,16)
InChIKeyDLYJJWQYJVCGKK-UHFFFAOYSA-N
XLogP1.06
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-5-oxo-N-[(1S)-1-(2H-tetrazol-5-yl)ethyl]pyrrolidine-2-carboxamide
CID 155074064
(2R)-2-amino-N-[1-(2H-tetrazol-5-yl)ethyl]propanamide
CID 78977288
3-amino-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopentane-1-carboxamide
CID 66009632
1-methyl-3-[1-(2H-tetrazol-5-yl)ethyl]thiourea
CID 116507980
1-cyclopropyl-3-[1-(2H-tetrazol-5-yl)ethyl]urea
CID 62700432
1-(N'-hydroxycarbamimidoyl)-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide
CID 80597791
5-[1-(2H-tetrazol-5-yl)ethylcarbamoyl]-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 107427037
N-[1-(2H-tetrazol-5-yl)ethyl]but-3-enamide
CID 62679492
2-(azetidin-3-yl)-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 64612043
2-methyl-N-[1-(2H-tetrazol-5-yl)ethyl]thiolane-2-carboxamide
CID 81450334
5-hydroxy-N-[1-(2H-tetrazol-5-yl)ethyl]pentanamide
CID 79209401
2-[(2-methylpropan-2-yl)oxy]-N-[1-(2H-tetrazol-5-yl)ethyl]acetamide
CID 112603262

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The IUPAC name of 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide (CID 66477311) is 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide.
What is the SMILES notation for 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The canonical SMILES for 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide is CC(NC(=O)C1C(C)(C)C1(C)C)c1nn[nH]n1.
What is the InChIKey of 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide?
The InChIKey is DLYJJWQYJVCGKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-6(8-13-15-16-14-8)12-9(17)7-10(2,3)11(7,4)5/h6-7H,1-5H3,(H,12,17)(H,13,14,15,16).
What are the key properties of 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide?
2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide has a molecular weight of 237.31 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetramethyl-N-[1-(2H-tetrazol-5-yl)ethyl]cyclopropane-1-carboxamide is sourced from PubChem (CID 66477311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).