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

C16H24N6O — CID 86772863

IUPACN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC(C)c1nnc2n1CC(NC(C)c1nc(C3CC3)no1)CC2
InChIInChI=1S/C16H24N6O/c1-9(2)15-20-19-13-7-6-12(8-22(13)15)17-10(3)16-18-14(21-23-16)11-4-5-11/h9-12,17H,4-8H2,1-3H3
InChIKeyWPRNDZHHNORUDJ-UHFFFAOYSA-N
MW316.41 g/mol
LogP2.33
Rot. Bonds5

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

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (PubChem CID 86772863) has the molecular formula C16H24N6O and a molecular weight of 316.41 g/mol. Its IUPAC name is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
PubChem CID86772863
Molecular FormulaC16H24N6O
Molecular Weight316.41 g/mol
Exact Mass316.20
IUPAC NameN-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine
SMILESCC(C)c1nnc2n1CC(NC(C)c1nc(C3CC3)no1)CC2
InChIInChI=1S/C16H24N6O/c1-9(2)15-20-19-13-7-6-12(8-22(13)15)17-10(3)16-18-14(21-23-16)11-4-5-11/h9-12,17H,4-8H2,1-3H3
InChIKeyWPRNDZHHNORUDJ-UHFFFAOYSA-N
XLogP2.33
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The IUPAC name of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine (CID 86772863) is N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine.
What is the SMILES notation for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The canonical SMILES for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is CC(C)c1nnc2n1CC(NC(C)c1nc(C3CC3)no1)CC2.
What is the InChIKey of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
The InChIKey is WPRNDZHHNORUDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N6O/c1-9(2)15-20-19-13-7-6-12(8-22(13)15)17-10(3)16-18-14(21-23-16)11-4-5-11/h9-12,17H,4-8H2,1-3H3.
What are the key properties of N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine?
N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine has a molecular weight of 316.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-amine is sourced from PubChem (CID 86772863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).