N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide

C5H9N5O2 — CID 107858481

IUPACN-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
SMILESC[C@@H](CO)NC(=O)c1nn[nH]n1
InChIInChI=1S/C5H9N5O2/c1-3(2-11)6-5(12)4-7-9-10-8-4/h3,11H,2H2,1H3,(H,6,12)(H,7,8,9,10)/t3-/m0/s1
InChIKeySKEXNBDBALUEFK-VKHMYHEASA-N
MW171.16 g/mol
LogP-1.69
Rot. Bonds3

About N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide

N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide (PubChem CID 107858481) has the molecular formula C5H9N5O2 and a molecular weight of 171.16 g/mol. Its IUPAC name is N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
PubChem CID107858481
Molecular FormulaC5H9N5O2
Molecular Weight171.16 g/mol
Exact Mass171.08
IUPAC NameN-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
SMILESC[C@@H](CO)NC(=O)c1nn[nH]n1
InChIInChI=1S/C5H9N5O2/c1-3(2-11)6-5(12)4-7-9-10-8-4/h3,11H,2H2,1H3,(H,6,12)(H,7,8,9,10)/t3-/m0/s1
InChIKeySKEXNBDBALUEFK-VKHMYHEASA-N
XLogP-1.69
TPSA103.79 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide?
The IUPAC name of N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide (CID 107858481) is N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide is C[C@@H](CO)NC(=O)c1nn[nH]n1.
What is the InChIKey of N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide?
The InChIKey is SKEXNBDBALUEFK-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9N5O2/c1-3(2-11)6-5(12)4-7-9-10-8-4/h3,11H,2H2,1H3,(H,6,12)(H,7,8,9,10)/t3-/m0/s1.
What are the key properties of N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide?
N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide has a molecular weight of 171.16 g/mol, XLogP of -1.69, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 107858481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).