1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane

C12H21N5 — CID 47022227

IUPAC1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
SMILESC1CCCN(Cc2nnnn2C2CC2)CCC1
InChIInChI=1S/C12H21N5/c1-2-4-8-16(9-5-3-1)10-12-13-14-15-17(12)11-6-7-11/h11H,1-10H2
InChIKeyVHGFFFURANSFSK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.77
Rot. Bonds3

About 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane

1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane (PubChem CID 47022227) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane.

Molecular Properties

Compound Name1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
PubChem CID47022227
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane
SMILESC1CCCN(Cc2nnnn2C2CC2)CCC1
InChIInChI=1S/C12H21N5/c1-2-4-8-16(9-5-3-1)10-12-13-14-15-17(12)11-6-7-11/h11H,1-10H2
InChIKeyVHGFFFURANSFSK-UHFFFAOYSA-N
XLogP1.77
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane?
The IUPAC name of 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane (CID 47022227) is 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane.
What is the SMILES notation for 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane?
The canonical SMILES for 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane is C1CCCN(Cc2nnnn2C2CC2)CCC1.
What is the InChIKey of 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane?
The InChIKey is VHGFFFURANSFSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-2-4-8-16(9-5-3-1)10-12-13-14-15-17(12)11-6-7-11/h11H,1-10H2.
What are the key properties of 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane?
1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane has a molecular weight of 235.33 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-cyclopropyltetrazol-5-yl)methyl]azocane is sourced from PubChem (CID 47022227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).