7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

C14H21N5O — CID 126649151

IUPAC7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1CCCC(C)C1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H21N5O/c1-8-4-3-5-9(2)10(8)7-20-11-6-12(15)16-14-13(11)17-19-18-14/h6,8-10H,3-5,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyDWQBTTXXSYCADN-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.39
Rot. Bonds3

About 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine

7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (PubChem CID 126649151) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.

Molecular Properties

Compound Name7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
PubChem CID126649151
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine
SMILESCC1CCCC(C)C1COc1cc(N)nc2n[nH]nc12
InChIInChI=1S/C14H21N5O/c1-8-4-3-5-9(2)10(8)7-20-11-6-12(15)16-14-13(11)17-19-18-14/h6,8-10H,3-5,7H2,1-2H3,(H3,15,16,17,18,19)
InChIKeyDWQBTTXXSYCADN-UHFFFAOYSA-N
XLogP2.39
TPSA89.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The IUPAC name of 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine (CID 126649151) is 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine.
What is the SMILES notation for 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The canonical SMILES for 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is CC1CCCC(C)C1COc1cc(N)nc2n[nH]nc12.
What is the InChIKey of 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
The InChIKey is DWQBTTXXSYCADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-8-4-3-5-9(2)10(8)7-20-11-6-12(15)16-14-13(11)17-19-18-14/h6,8-10H,3-5,7H2,1-2H3,(H3,15,16,17,18,19).
What are the key properties of 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine?
7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine has a molecular weight of 275.36 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,6-dimethylcyclohexyl)methoxy]-2H-triazolo[4,5-b]pyridin-5-amine is sourced from PubChem (CID 126649151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).