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

C11H20N4 — CID 81251479

IUPACN-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine
SMILESCC1CCn2c(CNC(C)C)nnc2C1
InChIInChI=1S/C11H20N4/c1-8(2)12-7-11-14-13-10-6-9(3)4-5-15(10)11/h8-9,12H,4-7H2,1-3H3
InChIKeyQTADZKJKERIJAV-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.36
Rot. Bonds3

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

N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine (PubChem CID 81251479) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound NameN-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine
PubChem CID81251479
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine
SMILESCC1CCn2c(CNC(C)C)nnc2C1
InChIInChI=1S/C11H20N4/c1-8(2)12-7-11-14-13-10-6-9(3)4-5-15(10)11/h8-9,12H,4-7H2,1-3H3
InChIKeyQTADZKJKERIJAV-UHFFFAOYSA-N
XLogP1.36
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine?
The IUPAC name of N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine (CID 81251479) is N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine.
What is the SMILES notation for N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine?
The canonical SMILES for N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine is CC1CCn2c(CNC(C)C)nnc2C1.
What is the InChIKey of N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine?
The InChIKey is QTADZKJKERIJAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-8(2)12-7-11-14-13-10-6-9(3)4-5-15(10)11/h8-9,12H,4-7H2,1-3H3.
What are the key properties of N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine?
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine has a molecular weight of 208.31 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 81251479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).