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

C15H27N5 — CID 117151456

IUPAC3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESCC(C)N1CCCCC1Cc1nnc2n1CCC(N)C2
InChIInChI=1S/C15H27N5/c1-11(2)19-7-4-3-5-13(19)10-15-18-17-14-9-12(16)6-8-20(14)15/h11-13H,3-10,16H2,1-2H3
InChIKeyFBDMULAWAVGULK-UHFFFAOYSA-N
MW277.42 g/mol
LogP1.36
Rot. Bonds3

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

3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine (PubChem CID 117151456) has the molecular formula C15H27N5 and a molecular weight of 277.42 g/mol. Its IUPAC name is 3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine.

Molecular Properties

Compound Name3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
PubChem CID117151456
Molecular FormulaC15H27N5
Molecular Weight277.42 g/mol
Exact Mass277.23
IUPAC Name3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine
SMILESCC(C)N1CCCCC1Cc1nnc2n1CCC(N)C2
InChIInChI=1S/C15H27N5/c1-11(2)19-7-4-3-5-13(19)10-15-18-17-14-9-12(16)6-8-20(14)15/h11-13H,3-10,16H2,1-2H3
InChIKeyFBDMULAWAVGULK-UHFFFAOYSA-N
XLogP1.36
TPSA59.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.42
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The IUPAC name of 3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine (CID 117151456) is 3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine.
What is the SMILES notation for 3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The canonical SMILES for 3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine is CC(C)N1CCCCC1Cc1nnc2n1CCC(N)C2.
What is the InChIKey of 3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
The InChIKey is FBDMULAWAVGULK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5/c1-11(2)19-7-4-3-5-13(19)10-15-18-17-14-9-12(16)6-8-20(14)15/h11-13H,3-10,16H2,1-2H3.
What are the key properties of 3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine?
3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine has a molecular weight of 277.42 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-propan-2-ylpiperidin-2-yl)methyl]-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-amine is sourced from PubChem (CID 117151456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).