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

C14H18N4 — CID 78990700

IUPACN-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
SMILESCC1CCn2c(CNc3ccccc3)nnc2C1
InChIInChI=1S/C14H18N4/c1-11-7-8-18-13(9-11)16-17-14(18)10-15-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
InChIKeyOICBWEYUCHMAFL-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.47
Rot. Bonds3

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

N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline (PubChem CID 78990700) has the molecular formula C14H18N4 and a molecular weight of 242.33 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]aniline.

Molecular Properties

Compound NameN-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
PubChem CID78990700
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline
SMILESCC1CCn2c(CNc3ccccc3)nnc2C1
InChIInChI=1S/C14H18N4/c1-11-7-8-18-13(9-11)16-17-14(18)10-15-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3
InChIKeyOICBWEYUCHMAFL-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.47
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]aniline?
The IUPAC name of N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline (CID 78990700) is N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline.
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]aniline?
The canonical SMILES for N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline is CC1CCn2c(CNc3ccccc3)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]aniline?
The InChIKey is OICBWEYUCHMAFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-11-7-8-18-13(9-11)16-17-14(18)10-15-12-5-3-2-4-6-12/h2-6,11,15H,7-10H2,1H3.
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]aniline?
N-[(7-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methyl]aniline has a molecular weight of 242.33 g/mol, XLogP of 2.47, 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]aniline is sourced from PubChem (CID 78990700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).