N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine

C12H16N4 — CID 116989643

IUPACN-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine
SMILESCNCC1(c2nc3ccc(C)cn3n2)CC1
InChIInChI=1S/C12H16N4/c1-9-3-4-10-14-11(15-16(10)7-9)12(5-6-12)8-13-2/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyNJOVPDOCVBWFHM-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.29
Rot. Bonds3

About N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine

N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine (PubChem CID 116989643) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine
PubChem CID116989643
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine
SMILESCNCC1(c2nc3ccc(C)cn3n2)CC1
InChIInChI=1S/C12H16N4/c1-9-3-4-10-14-11(15-16(10)7-9)12(5-6-12)8-13-2/h3-4,7,13H,5-6,8H2,1-2H3
InChIKeyNJOVPDOCVBWFHM-UHFFFAOYSA-N
XLogP1.29
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine?
The IUPAC name of N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine (CID 116989643) is N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine.
What is the SMILES notation for N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine?
The canonical SMILES for N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine is CNCC1(c2nc3ccc(C)cn3n2)CC1.
What is the InChIKey of N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine?
The InChIKey is NJOVPDOCVBWFHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9-3-4-10-14-11(15-16(10)7-9)12(5-6-12)8-13-2/h3-4,7,13H,5-6,8H2,1-2H3.
What are the key properties of N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine?
N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine has a molecular weight of 216.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[1-(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)cyclopropyl]methanamine is sourced from PubChem (CID 116989643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).