N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide

C8H15N5O — CID 69406058

IUPACN-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)NC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C8H15N5O/c1-6(2)9-8(14)5-3-4-7-10-12-13-11-7/h6H,3-5H2,1-2H3,(H,9,14)(H,10,11,12,13)
InChIKeyODADPHLDFCZZMC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.05
Rot. Bonds5

About N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide

N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide (PubChem CID 69406058) has the molecular formula C8H15N5O and a molecular weight of 197.24 g/mol. Its IUPAC name is N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide.

Molecular Properties

Compound NameN-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide
PubChem CID69406058
Molecular FormulaC8H15N5O
Molecular Weight197.24 g/mol
Exact Mass197.13
IUPAC NameN-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide
SMILESCC(C)NC(=O)CCCc1nn[nH]n1
InChIInChI=1S/C8H15N5O/c1-6(2)9-8(14)5-3-4-7-10-12-13-11-7/h6H,3-5H2,1-2H3,(H,9,14)(H,10,11,12,13)
InChIKeyODADPHLDFCZZMC-UHFFFAOYSA-N
XLogP0.05
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide?
The IUPAC name of N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide (CID 69406058) is N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide.
What is the SMILES notation for N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide?
The canonical SMILES for N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide is CC(C)NC(=O)CCCc1nn[nH]n1.
What is the InChIKey of N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide?
The InChIKey is ODADPHLDFCZZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N5O/c1-6(2)9-8(14)5-3-4-7-10-12-13-11-7/h6H,3-5H2,1-2H3,(H,9,14)(H,10,11,12,13).
What are the key properties of N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide?
N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide has a molecular weight of 197.24 g/mol, XLogP of 0.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-propan-2-yl-4-(2H-tetrazol-5-yl)butanamide is sourced from PubChem (CID 69406058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).