N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine

C14H20N4O — CID 65081528

IUPACN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine
SMILESCC(NC1CCCOCC1)c1nnc2ccccn12
InChIInChI=1S/C14H20N4O/c1-11(15-12-5-4-9-19-10-7-12)14-17-16-13-6-2-3-8-18(13)14/h2-3,6,8,11-12,15H,4-5,7,9-10H2,1H3
InChIKeyZLWPAEQUSKEMDK-UHFFFAOYSA-N
MW260.34 g/mol
LogP1.95
Rot. Bonds3

About N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine (PubChem CID 65081528) has the molecular formula C14H20N4O and a molecular weight of 260.34 g/mol. Its IUPAC name is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine.

Molecular Properties

Compound NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine
PubChem CID65081528
Molecular FormulaC14H20N4O
Molecular Weight260.34 g/mol
Exact Mass260.16
IUPAC NameN-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine
SMILESCC(NC1CCCOCC1)c1nnc2ccccn12
InChIInChI=1S/C14H20N4O/c1-11(15-12-5-4-9-19-10-7-12)14-17-16-13-6-2-3-8-18(13)14/h2-3,6,8,11-12,15H,4-5,7,9-10H2,1H3
InChIKeyZLWPAEQUSKEMDK-UHFFFAOYSA-N
XLogP1.95
TPSA51.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.34
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]thian-3-amine
CID 62872894
3-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclobutan-1-amine
CID 113463274
1-ethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]piperidin-4-amine
CID 43230936
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclopentan-1-amine
CID 79860135
(5R)-7-methyl-N-[(1R)-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 97065233
7-methyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
CID 75471359
3-(oxan-4-yl)-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]pyrrolidine-1-carboxamide
CID 127655986
2,2-dimethyl-N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]cyclohexan-1-amine
CID 79828642
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-amine
CID 82824393
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]-4,5,6,7-tetrahydro-1-benzofuran-4-amine
CID 115466137
N-[(1S)-1-(2-chlorophenyl)ethyl]oxepan-4-amine
CID 81377433
N-[1-(2-bromophenyl)ethyl]oxepan-4-amine
CID 65081524

Frequently Asked Questions

What is the IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine?
The IUPAC name of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine (CID 65081528) is N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine.
What is the SMILES notation for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine?
The canonical SMILES for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine is CC(NC1CCCOCC1)c1nnc2ccccn12.
What is the InChIKey of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine?
The InChIKey is ZLWPAEQUSKEMDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O/c1-11(15-12-5-4-9-19-10-7-12)14-17-16-13-6-2-3-8-18(13)14/h2-3,6,8,11-12,15H,4-5,7,9-10H2,1H3.
What are the key properties of N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine?
N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine has a molecular weight of 260.34 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]oxepan-4-amine is sourced from PubChem (CID 65081528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).