3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine

C7H11N5 — CID 107058913

IUPAC3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine
SMILESCn1nnc(C=C2CC(N)C2)n1
InChIInChI=1S/C7H11N5/c1-12-10-7(9-11-12)4-5-2-6(8)3-5/h4,6H,2-3,8H2,1H3/b5-4-
InChIKeyKJCIGOKXHFTXEG-PLNGDYQASA-N
MW165.20 g/mol
LogP-0.29
Rot. Bonds1

About 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine

3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine (PubChem CID 107058913) has the molecular formula C7H11N5 and a molecular weight of 165.20 g/mol. Its IUPAC name is 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine
PubChem CID107058913
Molecular FormulaC7H11N5
Molecular Weight165.20 g/mol
Exact Mass165.10
IUPAC Name3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine
SMILESCn1nnc(C=C2CC(N)C2)n1
InChIInChI=1S/C7H11N5/c1-12-10-7(9-11-12)4-5-2-6(8)3-5/h4,6H,2-3,8H2,1H3/b5-4-
InChIKeyKJCIGOKXHFTXEG-PLNGDYQASA-N
XLogP-0.29
TPSA69.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.20
LogP ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine?
The IUPAC name of 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine (CID 107058913) is 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine.
What is the SMILES notation for 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine?
The canonical SMILES for 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine is Cn1nnc(C=C2CC(N)C2)n1.
What is the InChIKey of 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine?
The InChIKey is KJCIGOKXHFTXEG-PLNGDYQASA-N. The full InChI is InChI=1S/C7H11N5/c1-12-10-7(9-11-12)4-5-2-6(8)3-5/h4,6H,2-3,8H2,1H3/b5-4-.
What are the key properties of 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine?
3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine has a molecular weight of 165.20 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyltetrazol-5-yl)methylidene]cyclobutan-1-amine is sourced from PubChem (CID 107058913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).