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

C10H11N5O — CID 107864140

IUPACN-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1nn[nH]n1)c1ccccc1
InChIInChI=1S/C10H11N5O/c1-7(8-5-3-2-4-6-8)11-10(16)9-12-14-15-13-9/h2-7H,1H3,(H,11,16)(H,12,13,14,15)/t7-/m0/s1
InChIKeyOHFYTYCLAOLDPM-ZETCQYMHSA-N
MW217.23 g/mol
LogP0.69
Rot. Bonds3

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

N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide (PubChem CID 107864140) has the molecular formula C10H11N5O and a molecular weight of 217.23 g/mol. Its IUPAC name is N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
PubChem CID107864140
Molecular FormulaC10H11N5O
Molecular Weight217.23 g/mol
Exact Mass217.10
IUPAC NameN-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide
SMILESC[C@H](NC(=O)c1nn[nH]n1)c1ccccc1
InChIInChI=1S/C10H11N5O/c1-7(8-5-3-2-4-6-8)11-10(16)9-12-14-15-13-9/h2-7H,1H3,(H,11,16)(H,12,13,14,15)/t7-/m0/s1
InChIKeyOHFYTYCLAOLDPM-ZETCQYMHSA-N
XLogP0.69
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-phenylethyl]-2H-tetrazole-5-carboxamide
CID 107864135
(2S)-2-phenyl-2-(2H-tetrazole-5-carbonylamino)acetic acid
CID 104897054
N-[(1R)-1-phenylethyl]pyrimidine-2-carboxamide
CID 91294472
N-[(2S)-1-hydroxypropan-2-yl]-2H-tetrazole-5-carboxamide
CID 107858481
5-amino-N-(1-phenylethyl)-2H-triazole-4-carboxamide
CID 110484935
5-bromo-N-[(1S)-1-phenylethyl]pyrimidine-2-carboxamide
CID 146610246
N-[(1R)-1-phenylethyl]cyclohepta[c]pyrazole-3-carboxamide
CID 91287100
2-phenyl-2-(2H-tetrazol-5-yl)acetic acid
CID 54210664
2-N-[(1S)-1-phenylethyl]-6-N-[(1R)-1-phenylethyl]pyridine-2,6-dicarboxamide
CID 139136791
5-methyl-N-[(1R)-1-phenylethyl]-1H-pyrazole-3-carboxamide
CID 167867029
5-(dimethylamino)-N-(1-phenylethyl)-1,2,4-oxadiazole-3-carboxamide
CID 117061449
N-[(1R)-1-phenylethyl]pyridine-4-carboxamide
CID 730033

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide?
The IUPAC name of N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide (CID 107864140) is N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide?
The canonical SMILES for N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide is C[C@H](NC(=O)c1nn[nH]n1)c1ccccc1.
What is the InChIKey of N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide?
The InChIKey is OHFYTYCLAOLDPM-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H11N5O/c1-7(8-5-3-2-4-6-8)11-10(16)9-12-14-15-13-9/h2-7H,1H3,(H,11,16)(H,12,13,14,15)/t7-/m0/s1.
What are the key properties of N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide?
N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide has a molecular weight of 217.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-phenylethyl]-2H-tetrazole-5-carboxamide is sourced from PubChem (CID 107864140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).