[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine

C6H9N7 — CID 79785786

IUPAC[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine
SMILESCn1cc(-n2nnnc2CN)cn1
InChIInChI=1S/C6H9N7/c1-12-4-5(3-8-12)13-6(2-7)9-10-11-13/h3-4H,2,7H2,1H3
InChIKeyIOZVHVYHZMUWGT-UHFFFAOYSA-N
MW179.19 g/mol
LogP-1.15
Rot. Bonds2

About [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine

[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine (PubChem CID 79785786) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine.

Molecular Properties

Compound Name[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine
PubChem CID79785786
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine
SMILESCn1cc(-n2nnnc2CN)cn1
InChIInChI=1S/C6H9N7/c1-12-4-5(3-8-12)13-6(2-7)9-10-11-13/h3-4H,2,7H2,1H3
InChIKeyIOZVHVYHZMUWGT-UHFFFAOYSA-N
XLogP-1.15
TPSA87.44 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 5-1.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine?
The IUPAC name of [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine (CID 79785786) is [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine.
What is the SMILES notation for [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine?
The canonical SMILES for [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine is Cn1cc(-n2nnnc2CN)cn1.
What is the InChIKey of [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine?
The InChIKey is IOZVHVYHZMUWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-12-4-5(3-8-12)13-6(2-7)9-10-11-13/h3-4H,2,7H2,1H3.
What are the key properties of [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine?
[1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine has a molecular weight of 179.19 g/mol, XLogP of -1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1-methylpyrazol-4-yl)tetrazol-5-yl]methanamine is sourced from PubChem (CID 79785786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).