1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine

C6H9N7 — CID 130834615

IUPAC1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine
SMILESCn1cncc1Cn1nnnc1N
InChIInChI=1S/C6H9N7/c1-12-4-8-2-5(12)3-13-6(7)9-10-11-13/h2,4H,3H2,1H3,(H2,7,9,11)
InChIKeyVBQOLHMCVWCYOZ-UHFFFAOYSA-N
MW179.19 g/mol
LogP-0.96
Rot. Bonds2

About 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine

1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine (PubChem CID 130834615) has the molecular formula C6H9N7 and a molecular weight of 179.19 g/mol. Its IUPAC name is 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine.

Molecular Properties

Compound Name1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine
PubChem CID130834615
Molecular FormulaC6H9N7
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine
SMILESCn1cncc1Cn1nnnc1N
InChIInChI=1S/C6H9N7/c1-12-4-8-2-5(12)3-13-6(7)9-10-11-13/h2,4H,3H2,1H3,(H2,7,9,11)
InChIKeyVBQOLHMCVWCYOZ-UHFFFAOYSA-N
XLogP-0.96
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 ≤ 5-0.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine?
The IUPAC name of 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine (CID 130834615) is 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine.
What is the SMILES notation for 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine?
The canonical SMILES for 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine is Cn1cncc1Cn1nnnc1N.
What is the InChIKey of 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine?
The InChIKey is VBQOLHMCVWCYOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N7/c1-12-4-8-2-5(12)3-13-6(7)9-10-11-13/h2,4H,3H2,1H3,(H2,7,9,11).
What are the key properties of 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine?
1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine has a molecular weight of 179.19 g/mol, XLogP of -0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methylimidazol-4-yl)methyl]tetrazol-5-amine is sourced from PubChem (CID 130834615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).