4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine

C16H30N4 — CID 81252549

IUPAC4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine
SMILESCC1CCn2c(CCC(CCN)C(C)(C)C)nnc2C1
InChIInChI=1S/C16H30N4/c1-12-8-10-20-14(18-19-15(20)11-12)6-5-13(7-9-17)16(2,3)4/h12-13H,5-11,17H2,1-4H3
InChIKeyWQDSAWUQLIJQCC-UHFFFAOYSA-N
MW278.44 g/mol
LogP2.80
Rot. Bonds5

About 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine

4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine (PubChem CID 81252549) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine.

Molecular Properties

Compound Name4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine
PubChem CID81252549
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine
SMILESCC1CCn2c(CCC(CCN)C(C)(C)C)nnc2C1
InChIInChI=1S/C16H30N4/c1-12-8-10-20-14(18-19-15(20)11-12)6-5-13(7-9-17)16(2,3)4/h12-13H,5-11,17H2,1-4H3
InChIKeyWQDSAWUQLIJQCC-UHFFFAOYSA-N
XLogP2.80
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine with MolForge

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Related Compounds

2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 117151111
1-amino-2-methyl-3-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)propan-2-ol
CID 81252355
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine
CID 81251479
2-amino-1-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanol
CID 81252760
7-methyl-3-[(1-propan-2-ylpiperidin-3-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151494
[3-(2-cyclopentylethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl]methanamine
CID 105392313
3-methyl-5-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pentan-1-amine
CID 81055046
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
CID 78990700
7-methyl-3-[(1-methylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 117151442
2-methoxy-2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
CID 106110929
(3-nonyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)methanamine
CID 105392323
7-methyl-3-(piperidin-4-yloxymethyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine
CID 81252552

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine?
The IUPAC name of 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine (CID 81252549) is 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine.
What is the SMILES notation for 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine?
The canonical SMILES for 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine is CC1CCn2c(CCC(CCN)C(C)(C)C)nnc2C1.
What is the InChIKey of 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine?
The InChIKey is WQDSAWUQLIJQCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-12-8-10-20-14(18-19-15(20)11-12)6-5-13(7-9-17)16(2,3)4/h12-13H,5-11,17H2,1-4H3.
What are the key properties of 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine?
4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine has a molecular weight of 278.44 g/mol, XLogP of 2.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-3-[2-(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pentan-1-amine is sourced from PubChem (CID 81252549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).