6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide

C14H22N8O — CID 14601820

IUPAC6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
SMILESCCCCCCCCNc1cncc(C(=O)Nc2nn[nH]n2)n1
InChIInChI=1S/C14H22N8O/c1-2-3-4-5-6-7-8-16-12-10-15-9-11(17-12)13(23)18-14-19-21-22-20-14/h9-10H,2-8H2,1H3,(H,16,17)(H2,18,19,20,21,22,23)
InChIKeyDFXDASABLZMZBR-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.01
Rot. Bonds10

About 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide

6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide (PubChem CID 14601820) has the molecular formula C14H22N8O and a molecular weight of 318.38 g/mol. Its IUPAC name is 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
PubChem CID14601820
Molecular FormulaC14H22N8O
Molecular Weight318.38 g/mol
Exact Mass318.19
IUPAC Name6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
SMILESCCCCCCCCNc1cncc(C(=O)Nc2nn[nH]n2)n1
InChIInChI=1S/C14H22N8O/c1-2-3-4-5-6-7-8-16-12-10-15-9-11(17-12)13(23)18-14-19-21-22-20-14/h9-10H,2-8H2,1H3,(H,16,17)(H2,18,19,20,21,22,23)
InChIKeyDFXDASABLZMZBR-UHFFFAOYSA-N
XLogP2.01
TPSA121.37 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-(tert-butylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14183506
6-(butan-2-ylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14183505
6-(ethylamino)-N-hexylpyrazine-2-carboxamide
CID 114035955
6-(2-methylanilino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide
CID 14183513
N-benzyl-6-(heptylamino)pyrazine-2-carboxamide
CID 127038258
6-(4-methylpiperazin-1-yl)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide;hydrochloride
CID 70351897
6-(propylamino)-N-(2,2,2-trifluoroethyl)pyrazine-2-carboxamide
CID 114035608
CID 70476554
CID 70476554
N-(3-cyclopentylpropyl)-6-(propylamino)pyrazine-2-carboxamide
CID 106015591
N-[2,2-dimethyl-3-(methylamino)-3-oxopropyl]-6-(propylamino)pyrazine-2-carboxamide
CID 106280160
6-(hexylamino)pyridine-3-carboxamide
CID 112722796
3,6-dimethyl-N-(2H-tetrazol-5-yl)pyridine-2-carboxamide
CID 13209568

Frequently Asked Questions

What is the IUPAC name of 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide (CID 14601820) is 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide is CCCCCCCCNc1cncc(C(=O)Nc2nn[nH]n2)n1.
What is the InChIKey of 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide?
The InChIKey is DFXDASABLZMZBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N8O/c1-2-3-4-5-6-7-8-16-12-10-15-9-11(17-12)13(23)18-14-19-21-22-20-14/h9-10H,2-8H2,1H3,(H,16,17)(H2,18,19,20,21,22,23).
What are the key properties of 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide?
6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 2.01, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(octylamino)-N-(2H-tetrazol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 14601820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).