4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide

C10H9N9O — CID 140518111

IUPAC4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nonc1Cn1nnnc1-c1ccccn1
InChIInChI=1S/C10H9N9O/c11-9(12)8-7(15-20-16-8)5-19-10(14-17-18-19)6-3-1-2-4-13-6/h1-4H,5H2,(H3,11,12)
InChIKeyQKBFTCBVDWECSR-UHFFFAOYSA-N
MW271.24 g/mol
LogP-0.55
Rot. Bonds4

About 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide

4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide (PubChem CID 140518111) has the molecular formula C10H9N9O and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide.

Molecular Properties

Compound Name4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide
PubChem CID140518111
Molecular FormulaC10H9N9O
Molecular Weight271.24 g/mol
Exact Mass271.09
IUPAC Name4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide
SMILES[H]/N=C(\N)c1nonc1Cn1nnnc1-c1ccccn1
InChIInChI=1S/C10H9N9O/c11-9(12)8-7(15-20-16-8)5-19-10(14-17-18-19)6-3-1-2-4-13-6/h1-4H,5H2,(H3,11,12)
InChIKeyQKBFTCBVDWECSR-UHFFFAOYSA-N
XLogP-0.55
TPSA145.28 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 5-0.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-(1-benzyltetrazol-5-yl)pyridine
CID 86063303
4-[[[(1R)-2-hydroxy-1-phenylethyl]amino]methyl]-1,2,5-oxadiazole-3-carboximidamide
CID 140518126
2-[1-[3-(tetrazol-1-yl)propyl]tetrazol-5-yl]pyridine
CID 102517127
7-methyl-4-[(5-pyridin-2-yltetrazol-1-yl)methyl]chromen-2-one
CID 167878271
4,4-dimethyl-2-[(5-pyridin-2-yltetrazol-1-yl)methyl]pentanoic acid
CID 107475047
2-[3-(5-pyridin-2-yltetrazol-1-yl)propyl]isoindole-1,3-dione
CID 53483400
2-[1-[[(2R)-1-oxaspiro[4.5]decan-2-yl]methyl]tetrazol-5-yl]pyridine
CID 129486887
4-(methoxymethyl)-2-pyridin-2-yl-1,3-thiazole-5-carboximidamide
CID 82440280
2-[1-(4-ethoxyphenyl)tetrazol-5-yl]pyridine
CID 2140206
1-[(5-methyl-1,3-oxazol-4-yl)methyl]-5-pyridin-2-yltriazole-4-carboxylic acid
CID 102644240
3-(benzimidazol-1-ylmethyl)pyridine-2-carboximidamide
CID 62894396
5-[(2-pyridin-2-ylimidazol-1-yl)methyl]-2,1,3-benzoxadiazole
CID 167919809

Frequently Asked Questions

What is the IUPAC name of 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The IUPAC name of 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide (CID 140518111) is 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide.
What is the SMILES notation for 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The canonical SMILES for 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide is [H]/N=C(\N)c1nonc1Cn1nnnc1-c1ccccn1.
What is the InChIKey of 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
The InChIKey is QKBFTCBVDWECSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N9O/c11-9(12)8-7(15-20-16-8)5-19-10(14-17-18-19)6-3-1-2-4-13-6/h1-4H,5H2,(H3,11,12).
What are the key properties of 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide?
4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide has a molecular weight of 271.24 g/mol, XLogP of -0.55, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-pyridin-2-yltetrazol-1-yl)methyl]-1,2,5-oxadiazole-3-carboximidamide is sourced from PubChem (CID 140518111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).