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

C12H20N4 — CID 83866394

IUPAC1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine
SMILESCC(N)CC1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C12H20N4/c1-8(13)6-9-4-5-16-11(7-9)14-15-12(16)10-2-3-10/h8-10H,2-7,13H2,1H3
InChIKeyVTBUHVQWWHAQMR-UHFFFAOYSA-N
MW220.32 g/mol
LogP1.46
Rot. Bonds3

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

1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine (PubChem CID 83866394) has the molecular formula C12H20N4 and a molecular weight of 220.32 g/mol. Its IUPAC name is 1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine.

Molecular Properties

Compound Name1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine
PubChem CID83866394
Molecular FormulaC12H20N4
Molecular Weight220.32 g/mol
Exact Mass220.17
IUPAC Name1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine
SMILESCC(N)CC1CCn2c(nnc2C2CC2)C1
InChIInChI=1S/C12H20N4/c1-8(13)6-9-4-5-16-11(7-9)14-15-12(16)10-2-3-10/h8-10H,2-7,13H2,1H3
InChIKeyVTBUHVQWWHAQMR-UHFFFAOYSA-N
XLogP1.46
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine?
The IUPAC name of 1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine (CID 83866394) is 1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine.
What is the SMILES notation for 1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine?
The canonical SMILES for 1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine is CC(N)CC1CCn2c(nnc2C2CC2)C1.
What is the InChIKey of 1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine?
The InChIKey is VTBUHVQWWHAQMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4/c1-8(13)6-9-4-5-16-11(7-9)14-15-12(16)10-2-3-10/h8-10H,2-7,13H2,1H3.
What are the key properties of 1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine?
1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine has a molecular weight of 220.32 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-7-yl)propan-2-amine is sourced from PubChem (CID 83866394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).