2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane

C10H18N4 — CID 64562693

IUPAC2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
SMILESCc1nc(C2CCCCCN2)n(C)n1
InChIInChI=1S/C10H18N4/c1-8-12-10(14(2)13-8)9-6-4-3-5-7-11-9/h9,11H,3-7H2,1-2H3
InChIKeyXTFYEKDALCHVPN-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.33
Rot. Bonds1

About 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane

2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane (PubChem CID 64562693) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane.

Molecular Properties

Compound Name2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
PubChem CID64562693
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane
SMILESCc1nc(C2CCCCCN2)n(C)n1
InChIInChI=1S/C10H18N4/c1-8-12-10(14(2)13-8)9-6-4-3-5-7-11-9/h9,11H,3-7H2,1-2H3
InChIKeyXTFYEKDALCHVPN-UHFFFAOYSA-N
XLogP1.33
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)piperidine
CID 62721773
3-cyclopentyl-1-methyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62722373
2-(4-methyl-1,2,4-triazol-3-yl)azepane
CID 64562303
1-methyl-3-propyl-5-pyrrolidin-2-yl-1,2,4-triazole
CID 62721052
2-(4-methyl-1,2,4-triazol-3-yl)piperidine
CID 62406028
2-(4,5-dimethyl-1,2,4-triazol-3-yl)piperidine;dihydrochloride
CID 154883622
2-methyl-5-[(2S)-piperidin-2-yl]-1,2,4-triazol-3-amine
CID 104915236
1,5,7-trimethyl-2-piperidin-2-ylbenzimidazole
CID 84631010
2-(1,5-dimethylpyrazol-4-yl)azepane
CID 81147325
(2S)-2-(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)piperidine
CID 104915219
N,4-dimethyl-5-piperidin-2-yl-1,2,4-triazol-3-amine
CID 112597261
2-(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)azepane
CID 64561912

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane?
The IUPAC name of 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane (CID 64562693) is 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane.
What is the SMILES notation for 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane?
The canonical SMILES for 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane is Cc1nc(C2CCCCCN2)n(C)n1.
What is the InChIKey of 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane?
The InChIKey is XTFYEKDALCHVPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-8-12-10(14(2)13-8)9-6-4-3-5-7-11-9/h9,11H,3-7H2,1-2H3.
What are the key properties of 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane?
2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane has a molecular weight of 194.28 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethyl-1,2,4-triazol-3-yl)azepane is sourced from PubChem (CID 64562693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).