(5-cycloheptyl-3-methyltriazol-4-yl)methanamine

C11H20N4 — CID 105462408

IUPAC(5-cycloheptyl-3-methyltriazol-4-yl)methanamine
SMILESCn1nnc(C2CCCCCC2)c1CN
InChIInChI=1S/C11H20N4/c1-15-10(8-12)11(13-14-15)9-6-4-2-3-5-7-9/h9H,2-8,12H2,1H3
InChIKeyPMXZLSAZASBPCK-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.71
Rot. Bonds2

About (5-cycloheptyl-3-methyltriazol-4-yl)methanamine

(5-cycloheptyl-3-methyltriazol-4-yl)methanamine (PubChem CID 105462408) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is (5-cycloheptyl-3-methyltriazol-4-yl)methanamine.

Molecular Properties

Compound Name(5-cycloheptyl-3-methyltriazol-4-yl)methanamine
PubChem CID105462408
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name(5-cycloheptyl-3-methyltriazol-4-yl)methanamine
SMILESCn1nnc(C2CCCCCC2)c1CN
InChIInChI=1S/C11H20N4/c1-15-10(8-12)11(13-14-15)9-6-4-2-3-5-7-9/h9H,2-8,12H2,1H3
InChIKeyPMXZLSAZASBPCK-UHFFFAOYSA-N
XLogP1.71
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5-cycloheptyl-3-methyltriazol-4-yl)methanamine?
The IUPAC name of (5-cycloheptyl-3-methyltriazol-4-yl)methanamine (CID 105462408) is (5-cycloheptyl-3-methyltriazol-4-yl)methanamine.
What is the SMILES notation for (5-cycloheptyl-3-methyltriazol-4-yl)methanamine?
The canonical SMILES for (5-cycloheptyl-3-methyltriazol-4-yl)methanamine is Cn1nnc(C2CCCCCC2)c1CN.
What is the InChIKey of (5-cycloheptyl-3-methyltriazol-4-yl)methanamine?
The InChIKey is PMXZLSAZASBPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-15-10(8-12)11(13-14-15)9-6-4-2-3-5-7-9/h9H,2-8,12H2,1H3.
What are the key properties of (5-cycloheptyl-3-methyltriazol-4-yl)methanamine?
(5-cycloheptyl-3-methyltriazol-4-yl)methanamine has a molecular weight of 208.31 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cycloheptyl-3-methyltriazol-4-yl)methanamine is sourced from PubChem (CID 105462408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).