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

C6H9N5O — CID 18618243

IUPACN-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NC1CC1
InChIInChI=1S/C6H9N5O/c12-6(7-4-1-2-4)3-5-8-10-11-9-5/h4H,1-3H2,(H,7,12)(H,8,9,10,11)
InChIKeySZNGGAKFSHHUGE-UHFFFAOYSA-N
MW167.17 g/mol
LogP-0.98
Rot. Bonds3

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

N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 18618243) has the molecular formula C6H9N5O and a molecular weight of 167.17 g/mol. Its IUPAC name is N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID18618243
Molecular FormulaC6H9N5O
Molecular Weight167.17 g/mol
Exact Mass167.08
IUPAC NameN-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide
SMILESO=C(Cc1nn[nH]n1)NC1CC1
InChIInChI=1S/C6H9N5O/c12-6(7-4-1-2-4)3-5-8-10-11-9-5/h4H,1-3H2,(H,7,12)(H,8,9,10,11)
InChIKeySZNGGAKFSHHUGE-UHFFFAOYSA-N
XLogP-0.98
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.17
LogP ≤ 5-0.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide (CID 18618243) is N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide is O=C(Cc1nn[nH]n1)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is SZNGGAKFSHHUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O/c12-6(7-4-1-2-4)3-5-8-10-11-9-5/h4H,1-3H2,(H,7,12)(H,8,9,10,11).
What are the key properties of N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide?
N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 167.17 g/mol, XLogP of -0.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 18618243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).