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

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Related Compounds

N-(4-hydroxy-3-methylsulfanylbutan-2-yl)-2H-tetrazole-5-carboxamide
CID 106162645
N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864140
N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-2H-tetrazole-5-carboxamide
CID 103113174
N-pent-1-yn-3-yl-2H-tetrazole-5-carboxamide
CID 106231075
(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid
CID 104897054
4-amino-N-[(2S)-1-hydroxypropan-2-yl]-5-methyl-1H-pyrazole-3-carboxamide
CID 94344980
3-amino-N-[(2R)-1-hydroxypropan-2-yl]-1H-1,2,4-triazole-5-carboxamide
CID 94599696
N-nitro-2H-tetrazole-5-carboxamide
CID 170844684
4-amino-5-ethyl-N-[(2S)-1-hydroxypropan-2-yl]-1H-pyrazole-3-carboxamide
CID 107210470
1-N,2-N-bis[(2R)-1-hydroxypropan-2-yl]benzene-1,2-dicarboxamide
CID 786729
N-[(2R)-1-hydroxypropan-2-yl]-3,6-dimethylpyridazine-4-carboxamide
CID 104671187

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).