6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine

C11H22N4 — CID 65284962

IUPAC6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine
SMILESCc1nc(C(C)CCCC(C)N)n(C)n1
InChIInChI=1S/C11H22N4/c1-8(6-5-7-9(2)12)11-13-10(3)14-15(11)4/h8-9H,5-7,12H2,1-4H3
InChIKeyVXWNYNWQDLUAEA-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.74
Rot. Bonds5

About 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine

6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine (PubChem CID 65284962) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine.

Molecular Properties

Compound Name6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine
PubChem CID65284962
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC Name6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine
SMILESCc1nc(C(C)CCCC(C)N)n(C)n1
InChIInChI=1S/C11H22N4/c1-8(6-5-7-9(2)12)11-13-10(3)14-15(11)4/h8-9H,5-7,12H2,1-4H3
InChIKeyVXWNYNWQDLUAEA-UHFFFAOYSA-N
XLogP1.74
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(5-ethyl-2-methyl-1,2,4-triazol-3-yl)heptan-2-amine
CID 65285160
1,3-dimethyl-5-propan-2-yl-1,2,4-triazole;ethane
CID 145338154
ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)butanoate
CID 79471464
6-(5,7-dimethyl-[1,2,4]triazolo[4,3-c]pyrimidin-3-yl)heptan-2-amine
CID 79817486
6-(3-propyl-1,2,4-oxadiazol-5-yl)heptan-2-amine
CID 65285729
6-(5-bromo-1-propan-2-ylbenzimidazol-2-yl)heptan-2-amine
CID 65284180
4-(3-methyl-5-propan-2-yl-1,2,4-triazol-1-yl)butan-1-amine
CID 96686984
2-(5-bromo-2-methyl-1,2,4-triazol-3-yl)propan-1-amine
CID 84684303
ethyl 2-(2,5-dimethyl-1,2,4-triazol-3-yl)-2-(4-methylphenyl)acetate
CID 79472205
1-(2-methyl-5-propyl-1,2,4-triazol-3-yl)pentan-1-amine
CID 62722130
pentadecane-2,6,10,14-tetramine
CID 164971565
docosane-2,21-diamine
CID 150079956

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine?
The IUPAC name of 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine (CID 65284962) is 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine.
What is the SMILES notation for 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine?
The canonical SMILES for 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine is Cc1nc(C(C)CCCC(C)N)n(C)n1.
What is the InChIKey of 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine?
The InChIKey is VXWNYNWQDLUAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-8(6-5-7-9(2)12)11-13-10(3)14-15(11)4/h8-9H,5-7,12H2,1-4H3.
What are the key properties of 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine?
6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethyl-1,2,4-triazol-3-yl)heptan-2-amine is sourced from PubChem (CID 65284962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).