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

C6H11N5O — CID 110496412

IUPACN-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)NC(=O)Cc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c1-4(2)7-6(12)3-5-8-10-11-9-5/h4H,3H2,1-2H3,(H,7,12)(H,8,9,10,11)
InChIKeyOXJOQRDZCPGETR-UHFFFAOYSA-N
MW169.19 g/mol
LogP-0.73
Rot. Bonds3

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

N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide (PubChem CID 110496412) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide.

Molecular Properties

Compound NameN-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide
PubChem CID110496412
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC NameN-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide
SMILESCC(C)NC(=O)Cc1nn[nH]n1
InChIInChI=1S/C6H11N5O/c1-4(2)7-6(12)3-5-8-10-11-9-5/h4H,3H2,1-2H3,(H,7,12)(H,8,9,10,11)
InChIKeyOXJOQRDZCPGETR-UHFFFAOYSA-N
XLogP-0.73
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-0.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 78977288
CID 78977288
CID 110496415
CID 110496415
CID 178300904
CID 178300904
CID 178302110
CID 178302110
CID 18618243
CID 18618243
CID 110496410
CID 110496410
CID 110496418
CID 110496418
CID 110496420
CID 110496420
CID 134846699
CID 134846699
CID 61852334
CID 61852334
CID 65711770
CID 65711770
CID 108055912
CID 108055912

Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
The IUPAC name of N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide (CID 110496412) is N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide.
What is the SMILES notation for N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
The canonical SMILES for N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide is CC(C)NC(=O)Cc1nn[nH]n1.
What is the InChIKey of N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
The InChIKey is OXJOQRDZCPGETR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-4(2)7-6(12)3-5-8-10-11-9-5/h4H,3H2,1-2H3,(H,7,12)(H,8,9,10,11).
What are the key properties of N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide?
N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide has a molecular weight of 169.19 g/mol, XLogP of -0.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-2-(2H-tetrazol-5-yl)acetamide is sourced from PubChem (CID 110496412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).