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

C8H14N4 — CID 83678785

IUPAC(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCc1nnc2n1CC(CN)CC2
InChIInChI=1S/C8H14N4/c1-6-10-11-8-3-2-7(4-9)5-12(6)8/h7H,2-5,9H2,1H3
InChIKeyVCZQHTMMBHUSEO-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.11
Rot. Bonds1

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

(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (PubChem CID 83678785) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is (3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.

Molecular Properties

Compound Name(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
PubChem CID83678785
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine
SMILESCc1nnc2n1CC(CN)CC2
InChIInChI=1S/C8H14N4/c1-6-10-11-8-3-2-7(4-9)5-12(6)8/h7H,2-5,9H2,1H3
InChIKeyVCZQHTMMBHUSEO-UHFFFAOYSA-N
XLogP0.11
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The IUPAC name of (3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine (CID 83678785) is (3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine.
What is the SMILES notation for (3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The canonical SMILES for (3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is Cc1nnc2n1CC(CN)CC2.
What is the InChIKey of (3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
The InChIKey is VCZQHTMMBHUSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-6-10-11-8-3-2-7(4-9)5-12(6)8/h7H,2-5,9H2,1H3.
What are the key properties of (3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine?
(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine has a molecular weight of 166.23 g/mol, XLogP of 0.11, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methanamine is sourced from PubChem (CID 83678785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).