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

C8H13ClN4 — CID 83870174

IUPAC1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine
SMILESCNCC1CCCn2c(Cl)nnc21
InChIInChI=1S/C8H13ClN4/c1-10-5-6-3-2-4-13-7(6)11-12-8(13)9/h6,10H,2-5H2,1H3
InChIKeyGBFXVDZPZRSPKQ-UHFFFAOYSA-N
MW200.67 g/mol
LogP1.03
Rot. Bonds2

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

1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine (PubChem CID 83870174) has the molecular formula C8H13ClN4 and a molecular weight of 200.67 g/mol. Its IUPAC name is 1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine
PubChem CID83870174
Molecular FormulaC8H13ClN4
Molecular Weight200.67 g/mol
Exact Mass200.08
IUPAC Name1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine
SMILESCNCC1CCCn2c(Cl)nnc21
InChIInChI=1S/C8H13ClN4/c1-10-5-6-3-2-4-13-7(6)11-12-8(13)9/h6,10H,2-5H2,1H3
InChIKeyGBFXVDZPZRSPKQ-UHFFFAOYSA-N
XLogP1.03
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.67
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine?
The IUPAC name of 1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine (CID 83870174) is 1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine.
What is the SMILES notation for 1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine?
The canonical SMILES for 1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine is CNCC1CCCn2c(Cl)nnc21.
What is the InChIKey of 1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine?
The InChIKey is GBFXVDZPZRSPKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13ClN4/c1-10-5-6-3-2-4-13-7(6)11-12-8(13)9/h6,10H,2-5H2,1H3.
What are the key properties of 1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine?
1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine has a molecular weight of 200.67 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-N-methylmethanamine is sourced from PubChem (CID 83870174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).