N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine

C15H24N6O — CID 75516917

IUPACN-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NC(c1nc(-c2ncn[nH]2)no1)C(C)(C)C
InChIInChI=1S/C15H24N6O/c1-9-6-5-7-10(9)18-11(15(2,3)4)14-19-13(21-22-14)12-16-8-17-20-12/h8-11,18H,5-7H2,1-4H3,(H,16,17,20)
InChIKeyYMCSXQTXCPQEKR-UHFFFAOYSA-N
MW304.40 g/mol
LogP2.72
Rot. Bonds4

About N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine

N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine (PubChem CID 75516917) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine.

Molecular Properties

Compound NameN-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine
PubChem CID75516917
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine
SMILESCC1CCCC1NC(c1nc(-c2ncn[nH]2)no1)C(C)(C)C
InChIInChI=1S/C15H24N6O/c1-9-6-5-7-10(9)18-11(15(2,3)4)14-19-13(21-22-14)12-16-8-17-20-12/h8-11,18H,5-7H2,1-4H3,(H,16,17,20)
InChIKeyYMCSXQTXCPQEKR-UHFFFAOYSA-N
XLogP2.72
TPSA92.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine?
The IUPAC name of N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine (CID 75516917) is N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine.
What is the SMILES notation for N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine?
The canonical SMILES for N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine is CC1CCCC1NC(c1nc(-c2ncn[nH]2)no1)C(C)(C)C.
What is the InChIKey of N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine?
The InChIKey is YMCSXQTXCPQEKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c1-9-6-5-7-10(9)18-11(15(2,3)4)14-19-13(21-22-14)12-16-8-17-20-12/h8-11,18H,5-7H2,1-4H3,(H,16,17,20).
What are the key properties of N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine?
N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine has a molecular weight of 304.40 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,2-dimethyl-1-[3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazol-5-yl]propyl]-2-methylcyclopentan-1-amine is sourced from PubChem (CID 75516917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).