6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide

C14H15N9O — CID 133412546

IUPAC6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCCNc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C14H15N9O/c15-13(24)11-8-16-9-12(19-11)17-6-7-18-14-20-21-22-23(14)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,15,24)(H,17,19)(H,18,20,22)
InChIKeyFSIHFSOPVLLBKV-UHFFFAOYSA-N
MW325.34 g/mol
LogP0.08
Rot. Bonds7

About 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide

6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide (PubChem CID 133412546) has the molecular formula C14H15N9O and a molecular weight of 325.34 g/mol. Its IUPAC name is 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide
PubChem CID133412546
Molecular FormulaC14H15N9O
Molecular Weight325.34 g/mol
Exact Mass325.14
IUPAC Name6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1cncc(NCCNc2nnnn2-c2ccccc2)n1
InChIInChI=1S/C14H15N9O/c15-13(24)11-8-16-9-12(19-11)17-6-7-18-14-20-21-22-23(14)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,15,24)(H,17,19)(H,18,20,22)
InChIKeyFSIHFSOPVLLBKV-UHFFFAOYSA-N
XLogP0.08
TPSA136.53 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 50.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide?
The IUPAC name of 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide (CID 133412546) is 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide?
The canonical SMILES for 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide is NC(=O)c1cncc(NCCNc2nnnn2-c2ccccc2)n1.
What is the InChIKey of 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide?
The InChIKey is FSIHFSOPVLLBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N9O/c15-13(24)11-8-16-9-12(19-11)17-6-7-18-14-20-21-22-23(14)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2,(H2,15,24)(H,17,19)(H,18,20,22).
What are the key properties of 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide?
6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide has a molecular weight of 325.34 g/mol, XLogP of 0.08, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(1-phenyltetrazol-5-yl)amino]ethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 133412546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).