4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide

C6H8N8O — CID 107346445

IUPAC4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide
SMILESCn1nnnc1-n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C6H8N8O/c1-13-6(9-11-12-13)14-2-3(7)4(10-14)5(8)15/h2H,7H2,1H3,(H2,8,15)
InChIKeyYJFMFXSPXSUOAP-UHFFFAOYSA-N
MW208.19 g/mol
LogP-1.92
Rot. Bonds2

About 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide

4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide (PubChem CID 107346445) has the molecular formula C6H8N8O and a molecular weight of 208.19 g/mol. Its IUPAC name is 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide
PubChem CID107346445
Molecular FormulaC6H8N8O
Molecular Weight208.19 g/mol
Exact Mass208.08
IUPAC Name4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide
SMILESCn1nnnc1-n1cc(N)c(C(N)=O)n1
InChIInChI=1S/C6H8N8O/c1-13-6(9-11-12-13)14-2-3(7)4(10-14)5(8)15/h2H,7H2,1H3,(H2,8,15)
InChIKeyYJFMFXSPXSUOAP-UHFFFAOYSA-N
XLogP-1.92
TPSA130.53 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 5-1.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide?
The IUPAC name of 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide (CID 107346445) is 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide.
What is the SMILES notation for 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide?
The canonical SMILES for 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide is Cn1nnnc1-n1cc(N)c(C(N)=O)n1.
What is the InChIKey of 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide?
The InChIKey is YJFMFXSPXSUOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N8O/c1-13-6(9-11-12-13)14-2-3(7)4(10-14)5(8)15/h2H,7H2,1H3,(H2,8,15).
What are the key properties of 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide?
4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide has a molecular weight of 208.19 g/mol, XLogP of -1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-(1-methyltetrazol-5-yl)pyrazole-3-carboxamide is sourced from PubChem (CID 107346445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).