N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C12H16N4 — CID 43685650

IUPACN-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(NCC1CC1)c1nnc2ccccn12
InChIInChI=1S/C12H16N4/c1-9(13-8-10-5-6-10)12-15-14-11-4-2-3-7-16(11)12/h2-4,7,9-10,13H,5-6,8H2,1H3
InChIKeyPMSAJNMGOOWWMY-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.79
Rot. Bonds4

About N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 43685650) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID43685650
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC NameN-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(NCC1CC1)c1nnc2ccccn12
InChIInChI=1S/C12H16N4/c1-9(13-8-10-5-6-10)12-15-14-11-4-2-3-7-16(11)12/h2-4,7,9-10,13H,5-6,8H2,1H3
InChIKeyPMSAJNMGOOWWMY-UHFFFAOYSA-N
XLogP1.79
TPSA42.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 43685650) is N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is CC(NCC1CC1)c1nnc2ccccn12.
What is the InChIKey of N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is PMSAJNMGOOWWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-9(13-8-10-5-6-10)12-15-14-11-4-2-3-7-16(11)12/h2-4,7,9-10,13H,5-6,8H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 216.29 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 43685650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).