4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one

C10H17N5O — CID 107043022

IUPAC4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one
SMILESCN(Cc1nnn(C)n1)C1CCC(=O)CC1
InChIInChI=1S/C10H17N5O/c1-14(7-10-11-13-15(2)12-10)8-3-5-9(16)6-4-8/h8H,3-7H2,1-2H3
InChIKeyNPGVRZKGQSZDJC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.15
Rot. Bonds3

About 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one

4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one (PubChem CID 107043022) has the molecular formula C10H17N5O and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one.

Molecular Properties

Compound Name4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one
PubChem CID107043022
Molecular FormulaC10H17N5O
Molecular Weight223.28 g/mol
Exact Mass223.14
IUPAC Name4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one
SMILESCN(Cc1nnn(C)n1)C1CCC(=O)CC1
InChIInChI=1S/C10H17N5O/c1-14(7-10-11-13-15(2)12-10)8-3-5-9(16)6-4-8/h8H,3-7H2,1-2H3
InChIKeyNPGVRZKGQSZDJC-UHFFFAOYSA-N
XLogP0.15
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one?
The IUPAC name of 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one (CID 107043022) is 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one.
What is the SMILES notation for 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one?
The canonical SMILES for 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one is CN(Cc1nnn(C)n1)C1CCC(=O)CC1.
What is the InChIKey of 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one?
The InChIKey is NPGVRZKGQSZDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O/c1-14(7-10-11-13-15(2)12-10)8-3-5-9(16)6-4-8/h8H,3-7H2,1-2H3.
What are the key properties of 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one?
4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one has a molecular weight of 223.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl-[(2-methyltetrazol-5-yl)methyl]amino]cyclohexan-1-one is sourced from PubChem (CID 107043022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).