(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine

C9H16N4 — CID 82568060

IUPAC(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine
SMILESCCc1nc2n(n1)CC(CN)CC2
InChIInChI=1S/C9H16N4/c1-2-8-11-9-4-3-7(5-10)6-13(9)12-8/h7H,2-6,10H2,1H3
InChIKeyVLQUTKORQABFFI-UHFFFAOYSA-N
MW180.25 g/mol
LogP0.36
Rot. Bonds2

About (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine

(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine (PubChem CID 82568060) has the molecular formula C9H16N4 and a molecular weight of 180.25 g/mol. Its IUPAC name is (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound Name(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine
PubChem CID82568060
Molecular FormulaC9H16N4
Molecular Weight180.25 g/mol
Exact Mass180.14
IUPAC Name(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine
SMILESCCc1nc2n(n1)CC(CN)CC2
InChIInChI=1S/C9H16N4/c1-2-8-11-9-4-3-7(5-10)6-13(9)12-8/h7H,2-6,10H2,1H3
InChIKeyVLQUTKORQABFFI-UHFFFAOYSA-N
XLogP0.36
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine?
The IUPAC name of (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine (CID 82568060) is (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine.
What is the SMILES notation for (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine?
The canonical SMILES for (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine is CCc1nc2n(n1)CC(CN)CC2.
What is the InChIKey of (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine?
The InChIKey is VLQUTKORQABFFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4/c1-2-8-11-9-4-3-7(5-10)6-13(9)12-8/h7H,2-6,10H2,1H3.
What are the key properties of (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine?
(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine has a molecular weight of 180.25 g/mol, XLogP of 0.36, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 82568060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).