1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

C10H17N5O — CID 107061849

IUPAC1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(N)CC2)n1
InChIInChI=1S/C10H17N5O/c1-15-13-10(12-14-15)6-9(16)7-2-4-8(11)5-3-7/h7-8H,2-6,11H2,1H3
InChIKeyAXIGTHBHWVGLKM-UHFFFAOYSA-N
MW223.28 g/mol
LogP-0.16
Rot. Bonds3

About 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone

1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (PubChem CID 107061849) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
PubChem CID107061849
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone
SMILESCn1nnc(CC(=O)C2CCC(N)CC2)n1
InChIInChI=1S/C10H17N5O/c1-15-13-10(12-14-15)6-9(16)7-2-4-8(11)5-3-7/h7-8H,2-6,11H2,1H3
InChIKeyAXIGTHBHWVGLKM-UHFFFAOYSA-N
XLogP-0.16
TPSA86.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The IUPAC name of 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone (CID 107061849) is 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone.
What is the SMILES notation for 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The canonical SMILES for 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is Cn1nnc(CC(=O)C2CCC(N)CC2)n1.
What is the InChIKey of 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
The InChIKey is AXIGTHBHWVGLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-15-13-10(12-14-15)6-9(16)7-2-4-8(11)5-3-7/h7-8H,2-6,11H2,1H3.
What are the key properties of 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone?
1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone has a molecular weight of 223.28 g/mol, XLogP of -0.16, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclohexyl)-2-(2-methyltetrazol-5-yl)ethanone is sourced from PubChem (CID 107061849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).