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

C15H22N6O — CID 56780071

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCc1nc(C3CC3)no1)CC2
InChIInChI=1S/C15H22N6O/c1-9(2)14-17-12-6-5-11(8-21(12)19-14)16-7-13-18-15(20-22-13)10-3-4-10/h9-11,16H,3-8H2,1-2H3
InChIKeyYTNXZGMZPYMFIH-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.77
Rot. Bonds5

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (PubChem CID 56780071) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
PubChem CID56780071
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine
SMILESCC(C)c1nc2n(n1)CC(NCc1nc(C3CC3)no1)CC2
InChIInChI=1S/C15H22N6O/c1-9(2)14-17-12-6-5-11(8-21(12)19-14)16-7-13-18-15(20-22-13)10-3-4-10/h9-11,16H,3-8H2,1-2H3
InChIKeyYTNXZGMZPYMFIH-UHFFFAOYSA-N
XLogP1.77
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine (CID 56780071) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is CC(C)c1nc2n(n1)CC(NCc1nc(C3CC3)no1)CC2.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
The InChIKey is YTNXZGMZPYMFIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-9(2)14-17-12-6-5-11(8-21(12)19-14)16-7-13-18-15(20-22-13)10-3-4-10/h9-11,16H,3-8H2,1-2H3.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine has a molecular weight of 302.38 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-amine is sourced from PubChem (CID 56780071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).